| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.7 | Very low | 31.9 | Very low | 252 Ų | 252 | 128.4 Ų | 128.4 | 100% | 1.241 | 85% | 0.852 | S | S | * | * | 0 | 109.9 | 0 | -81.7 | 176.6 | 168.1 | 0 | 0 | 106.7 | |||||
| 2 | A | 31 | Very low | 31.8 | Very low | 101 Ų | 101 | 133.9 Ų | 133.9 | 84% | 0.835 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 137.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 3 | T | 28.1 | Very low | 31.8 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 82% | 0.816 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 133.5 | 165.6 | 40.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 4 | P | 39.5 | Very low | 31.8 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 132.9 | 159.8 | 32.7 | -24.2 | 0 | 0 | 0 | 110.3 | ||
| 5 | D | 34.4 | Very low | 32.9 | Very low | 161 Ų | 161 | 131.3 Ų | 131.3 | 86% | 0.861 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -78 | 141.6 | 169.8 | -172.6 | 18.9 | 0 | 0 | 0 | 110.4 | ||
| 6 | A | 31.3 | Very low | 34.4 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 83% | 0.826 | 83% | 0.834 | S | S | * | * | trans | 167.7 | 128.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 7 | G | 26.4 | Very low | 36.4 | Very low | 68 Ų | 68 | 127.9 Ų | 127.9 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | cis | 177.5 | 146.3 | 3.1 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 8 | L | 30.3 | Very low | 38.3 | Very low | 170 Ų | 170 | 122.5 Ų | 122.5 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | trans | -51.3 | 141.2 | 177.8 | -71.6 | 152.7 | 0 | 0 | 0 | 111.1 | G10 | L8-G10 PolarHBondContact O-N 3.17Š| ||
| 9 | P | 33.8 | Very low | 40.2 | Very low | 130 Ų | 130 | 117.4 Ų | 117.4 | 84% | 0.844 | 74% | 0.737 | S | S | * | * | trans | -64.8 | 109.9 | 172.1 | 25.9 | -29.2 | 0 | 0 | 0 | 108.2 | ||||
| 10 | G | 27.3 | Very low | 41.9 | Very low | 60 Ų | 60 | 113.5 Ų | 113.5 | 62% | 0.619 | 72% | 0.716 | S | S | * | * | trans | -61.1 | 150.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L8 E12 | L8-G10 PolarHBondContact O-N 3.17Å; G10-E12 PolarHBondContact O-N 2.68Å | ||
| 11 | A | 31.1 | Very low | 43.6 | Very low | 110 Ų | 110 | 115.4 Ų | 115.4 | 91% | 0.909 | 72% | 0.716 | S | S | * | * | trans | -46.7 | 102.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | G13 | A11-G13 PolarHBondContact O-N 2.88Š| ||
| 12 | E | 31.2 | Very low | 45.8 | Very low | 195 Ų | 195 | 104.7 Ų | 104.7 | 91% | 0.911 | 66% | 0.664 | S | S | * | * | trans | -74 | 106.9 | 166.3 | -76.9 | -172.7 | 154.4 | 0 | 0 | 108.4 | G10 | G10-E12 PolarHBondContact O-N 2.68Š| ||
| 13 | G | 31.4 | Very low | 48.4 | Very low | 61 Ų | 61 | 104.9 Ų | 104.9 | 63% | 0.629 | 65% | 0.648 | S | S | * | * | trans | 46.9 | 88.4 | 148.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | A11 E15 | A11-G13 PolarHBondContact O-N 2.88Å; G13-E15 PolarHBondContact O-N 3.15Å | ||
| 14 | S | 32.3 | Very low | 51.1 | Low | 119 Ų | 119 | 101 Ų | 101 | 83% | 0.832 | 63% | 0.629 | S | S | * | * | trans | -57.4 | 97.2 | 141.9 | 36.3 | 0 | 0 | 0 | 0 | 107.1 | Q16 | S14-Q16 PolarHBondContact O-N 2.73Š| ||
| 15 | E | 47.3 | Very low | 53.4 | Low | 182 Ų | 182 | 97 Ų | 97 | 85% | 0.85 | 60% | 0.603 | S | S | * | * | trans | -49.4 | 112.5 | 173.9 | -75.7 | -170.4 | 150.8 | 0 | 0 | 107.6 | G13 A17 | G13-E15 PolarHBondContact O-N 3.15Å; E15-A17 PolarHBondContact O-N 3.44Å | ||
| 16 | Q | 58 | Low | 56 | Low | 162 Ų | 162 | 89.8 Ų | 89.8 | 76% | 0.757 | 57% | 0.566 | S | S | * | * | trans | -55.2 | 132.3 | 174.9 | -76.8 | 177.9 | -4.3 | 0 | 0 | 107.5 | S14 A20 | S14-Q16 PolarHBondContact O-N 2.73Å; Q16-A20 HydrophobicContact CB-CB 4.35Å | ||
| 17 | A | 68.2 | Low | 58.8 | Low | 43 Ų | 43 | 89.7 Ų | 89.7 | 36% | 0.355 | 54% | 0.544 | S | S | . | . | trans | -49.2 | 136.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | E15 W19 A20 | E15-A17 PolarHBondContact O-N 3.44Å; A17-W19 HydrophobicContact CB-CD2 4.19Å; A17-W19 HydrophobicContact CB-CH2 4.3Å; A17-W19 HydrophobicContact CB-CZ2 3.73Å; A17-W19 PolarHBondContact O-N 2.86Å; A17-A20 WeakPolarHBondContact O-CB 3.11Å; A17-A20 PolarHBondContact O-N 2.96Å | ||
| 18 | P | 70.3 | Confident | 61.9 | Low | 31 Ų | 31 | 90.6 Ų | 90.6 | 20% | 0.201 | 53% | 0.532 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -19.1 | -166.6 | 17.6 | -27.5 | 0 | 0 | 0 | 113.6 | L86 R89 | P18-L86 HydrophobicContact CB-CD1 3.87Å; P18-R89 HydrophobicContact CB-CB 4.32Å; P18-R89 HydrophobicContact CG-CB 4.32Å |
| 19 | W | 74.1 | Confident | 64.8 | Low | 25 Ų | 25 | 82.5 Ų | 82.5 | 10% | 0.095 | 49% | 0.49 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 11.1 | 175.3 | 55.1 | 84.9 | 0 | 0 | 0 | 115 | A17 Q21 L22 R27 L30 L90 P91 | A17-W19 HydrophobicContact CB-CD2 4.19Å; A17-W19 HydrophobicContact CB-CH2 4.3Å; A17-W19 HydrophobicContact CB-CZ2 3.73Å; A17-W19 PolarHBondContact O-N 2.86Å; W19-Q21 PolarHBondContact O-N 3.2Å; W19-Q21 VanDerWaalsContact O-N 3.15Å; W19-L22 HydrophobicContact CB-CD1 3.74Å; W19-L22 HydrophobicContact CB-CG 4.09Å; W19-L22 WeakPolarHBondContact O-CB 3.35Å; W19-L22 WeakPolarHBondContact O-CG 3.42Å; W19-L22 PolarHBondContact O-N 3.09Å; W19-L22 VanDerWaalsContact O-N 3.07Å; W19-R27 WeakPolarHBondContact O-CG 3.25Å; W19-L30 HydrophobicContact CB-CD1 3.46Å; W19-L30 VanDerWaalsContact CB-CD1 3.46Å; W19-L30 HydrophobicContact CD2-CD1 4.32Å; W19-L30 HydrophobicContact CG-CB 4.48Å; W19-L30 HydrophobicContact CG-CD1 3.71Å; W19-L90 HydrophobicContact CD2-CD2 4.23Å; W19-L90 HydrophobicContact CE3-CD2 3.29Å; W19-L90 HydrophobicContact CZ3-CD2 3.63Å; W19-P91 HydrophobicContact CH2-CG 4.42Å |
| 20 | A | 74.4 | Confident | 67.6 | Low | 39 Ų | 39 | 76.3 Ų | 76.3 | 32% | 0.322 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -24.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q16 A17 L22 R27 | Q16-A20 HydrophobicContact CB-CB 4.35Å; A17-A20 WeakPolarHBondContact O-CB 3.11Å; A17-A20 PolarHBondContact O-N 2.96Å; A20-L22 VanDerWaalsContact C-N 3.31Å; A20-R27 WeakPolarHBondContact O-CD 3.42Å |
| 21 | Q | 77.4 | Confident | 70.7 | Confident | 154 Ų | 154 | 78 Ų | 78 | 72% | 0.72 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -7.9 | 179.1 | -57.6 | -178.4 | 18.8 | 0 | 0 | 113.5 | W19 | W19-Q21 PolarHBondContact O-N 3.2Å; W19-Q21 VanDerWaalsContact O-N 3.15Å |
| 22 | L | 84.1 | Confident | 73.6 | Confident | 27 Ų | 27 | 73.4 Ų | 73.4 | 14% | 0.141 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -73.1 | 155.8 | 178.2 | -59.1 | -175.6 | 0 | 0 | 0 | 111.9 | W19 A20 A26 R27 L30 L63 A66 L86 | W19-L22 HydrophobicContact CB-CD1 3.74Å; W19-L22 HydrophobicContact CB-CG 4.09Å; W19-L22 WeakPolarHBondContact O-CB 3.35Å; W19-L22 WeakPolarHBondContact O-CG 3.42Å; W19-L22 PolarHBondContact O-N 3.09Å; W19-L22 VanDerWaalsContact O-N 3.07Å; A20-L22 VanDerWaalsContact C-N 3.31Å; L22-A26 HydrophobicContact CB-CB 3.99Å; L22-A26 HydrophobicContact CD1-CB 4.17Å; L22-R27 HydrophobicContact CB-CG 3.88Å; L22-R27 VanDerWaalsContact O-CD 3.25Å; L22-R27 WeakPolarHBondContact O-CD 3.49Å; L22-R27 WeakPolarHBondContact O-CG 3.43Å; L22-R27 PolarHBondContact O-NE 3.26Å; L22-L30 HydrophobicContact CD1-CD1 3.45Å; L22-L30 VanDerWaalsContact CD1-CD1 3.45Å; L22-L63 HydrophobicContact CD1-CD1 4.42Å; L22-A66 HydrophobicContact CD2-CB 3.49Å; L22-A66 VanDerWaalsContact CD2-CB 3.49Å; L22-L86 HydrophobicContact CD1-CD2 4.15Å; L22-L86 HydrophobicContact CD2-CD2 4.18Å; L22-L86 HydrophobicContact CG-CD2 4.41Å |
| 23 | E | 85.5 | Confident | 76.6 | Confident | 106 Ų | 106 | 64.1 Ų | 64.1 | 50% | 0.495 | 36% | 0.36 | S | S | . | . | trans | -59.1 | 153.8 | 173.3 | -64.5 | -176.2 | -173.9 | 0 | 0 | 111.7 | P25 A26 R27 R62 | E23-P25 VanDerWaalsContact C-CD 3.45Å; E23-P25 VanDerWaalsContact C-N 3.34Å; E23-A26 PolarHBondContact O-N 2.93Å; E23-A26 VanDerWaalsContact O-N 3.09Å; E23-R27 PolarHBondContact O-N 3.3Å; E23-R62 IonicContact OE1-CZ 2.61Å; E23-R62 IonicContact OE1-NH1 2.9Å; E23-R62 PolarHBondContact OE1-NH1 3.09Å | ||
| 24 | A | 85.3 | Confident | 79.5 | Confident | 51 Ų | 51 | 64.8 Ų | 64.8 | 42% | 0.421 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -53 | -41.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A26 R27 L28 | A24-A26 PolarHBondContact O-N 3.42Å; A24-R27 PolarHBondContact O-N 3.42Å; A24-L28 WeakPolarHBondContact O-CG 3.42Å; A24-L28 PolarHBondContact O-N 2.83Å |
| 25 | P | 87.3 | Confident | 82.1 | Confident | 43 Ų | 43 | 61.8 Ų | 61.8 | 28% | 0.279 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 177.1 | -23.5 | 35.6 | 0 | 0 | 0 | 113.3 | E23 L28 L29 L50 F58 | E23-P25 VanDerWaalsContact C-CD 3.45Å; E23-P25 VanDerWaalsContact C-N 3.34Å; P25-L28 PolarHBondContact O-N 2.88Å; P25-L29 PolarHBondContact O-N 3.42Å; P25-L29 VanDerWaalsContact O-N 3.07Å; P25-L50 HydrophobicContact CB-CD1 4.08Å; P25-F58 HydrophobicContact CB-CD2 4.16Å; P25-F58 HydrophobicContact CB-CE2 3.85Å |
| 26 | A | 89.6 | Confident | 84 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 8% | 0.083 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | L22 E23 A24 L29 L30 L63 | L22-A26 HydrophobicContact CB-CB 3.99Å; L22-A26 HydrophobicContact CD1-CB 4.17Å; E23-A26 PolarHBondContact O-N 2.93Å; E23-A26 VanDerWaalsContact O-N 3.09Å; A24-A26 PolarHBondContact O-N 3.42Å; A26-L29 PolarHBondContact O-N 3.24Å; A26-L30 PolarHBondContact O-N 3.49Å; A26-L63 HydrophobicContact CB-CD1 3.86Å |
| 27 | R | 90.6 | Very high | 85.2 | Confident | 97 Ų | 97 | 51.7 Ų | 51.7 | 37% | 0.366 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 174.8 | -72.1 | -171.5 | -75 | 149.1 | -0.2 | 112.3 | W19 A20 L22 E23 A24 L29 L30 Q31 | W19-R27 WeakPolarHBondContact O-CG 3.25Å; A20-R27 WeakPolarHBondContact O-CD 3.42Å; L22-R27 HydrophobicContact CB-CG 3.88Å; L22-R27 VanDerWaalsContact O-CD 3.25Å; L22-R27 WeakPolarHBondContact O-CD 3.49Å; L22-R27 WeakPolarHBondContact O-CG 3.43Å; L22-R27 PolarHBondContact O-NE 3.26Å; E23-R27 PolarHBondContact O-N 3.3Å; A24-R27 PolarHBondContact O-N 3.42Å; R27-L29 VanDerWaalsContact C-N 3.26Å; R27-L29 PolarHBondContact O-N 2.97Å; R27-L30 PolarHBondContact O-N 3.07Å; R27-Q31 WeakPolarHBondContact O-CB 3.37Å; R27-Q31 VanDerWaalsContact O-CG 3.26Å; R27-Q31 WeakPolarHBondContact O-CG 3.22Å; R27-Q31 PolarHBondContact O-N 3.08Å |
| 28 | L | 89.9 | Confident | 86.1 | Confident | 87 Ų | 87 | 54.1 Ų | 54.1 | 46% | 0.455 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.4 | -38.5 | 176.4 | -72.3 | 170.6 | 0 | 0 | 0 | 111.5 | A24 P25 A32 V46 | A24-L28 WeakPolarHBondContact O-CG 3.42Å; A24-L28 PolarHBondContact O-N 2.83Å; P25-L28 PolarHBondContact O-N 2.88Å; L28-A32 PolarHBondContact O-N 3.27Å; L28-V46 HydrophobicContact CB-CG1 4.29Å |
| 29 | L | 92.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.2 | -49.5 | 176.8 | -173.2 | 62.9 | 0 | 0 | 0 | 111.8 | P25 A26 R27 Q31 A32 L33 L47 F58 W60 L63 L101 | P25-L29 PolarHBondContact O-N 3.42Å; P25-L29 VanDerWaalsContact O-N 3.07Å; A26-L29 PolarHBondContact O-N 3.24Å; R27-L29 VanDerWaalsContact C-N 3.26Å; R27-L29 PolarHBondContact O-N 2.97Å; L29-Q31 VanDerWaalsContact C-N 3.32Å; L29-Q31 PolarHBondContact O-N 2.98Å; L29-A32 PolarHBondContact O-N 3.02Å; L29-A32 VanDerWaalsContact O-N 3.15Å; L29-L33 HydrophobicContact CG-CD1 4.12Å; L29-L33 VanDerWaalsContact O-CG 3.28Å; L29-L33 WeakPolarHBondContact O-CG 3.43Å; L29-L33 PolarHBondContact O-N 2.99Å; L29-L47 HydrophobicContact CD1-CD1 4.5Å; L29-L47 HydrophobicContact CD1-CD2 4.37Å; L29-L47 HydrophobicContact CD1-CG 4.1Å; L29-L47 HydrophobicContact CD2-CD2 4.36Å; L29-F58 HydrophobicContact CD2-CE1 4.01Å; L29-F58 HydrophobicContact CD2-CE2 4.38Å; L29-F58 HydrophobicContact CD2-CZ 3.66Å; L29-W60 HydrophobicContact CD2-CH2 4.17Å; L29-W60 HydrophobicContact CD2-CZ3 4.22Å; L29-L63 HydrophobicContact CD2-CD2 3.8Å; L29-L101 HydrophobicContact CD1-CD2 3.74Å; L29-L101 HydrophobicContact CD2-CD2 4.19Å; L29-L101 HydrophobicContact CG-CD2 4.27Å |
| 30 | L | 92.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.2 | -37.8 | 178.2 | -68.8 | 179.3 | 0 | 0 | 0 | 112.2 | W19 L22 A26 R27 A32 L33 Q34 L90 | W19-L30 HydrophobicContact CB-CD1 3.46Å; W19-L30 VanDerWaalsContact CB-CD1 3.46Å; W19-L30 HydrophobicContact CD2-CD1 4.32Å; W19-L30 HydrophobicContact CG-CB 4.48Å; W19-L30 HydrophobicContact CG-CD1 3.71Å; L22-L30 HydrophobicContact CD1-CD1 3.45Å; L22-L30 VanDerWaalsContact CD1-CD1 3.45Å; A26-L30 PolarHBondContact O-N 3.49Å; R27-L30 PolarHBondContact O-N 3.07Å; L30-A32 VanDerWaalsContact C-N 3.33Å; L30-A32 PolarHBondContact O-N 3.41Å; L30-L33 HydrophobicContact CD2-CD1 4.21Å; L30-L33 PolarHBondContact O-N 3.5Å; L30-Q34 WeakPolarHBondContact O-CG 3.44Å; L30-Q34 PolarHBondContact O-N 3.2Å; L30-L90 HydrophobicContact CD1-CD2 4.43Å; L30-L90 HydrophobicContact CD2-CD1 4.05Å |
| 31 | Q | 91.6 | Very high | 88.7 | Confident | 97 Ų | 97 | 59 Ų | 59 | 45% | 0.453 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.8 | -37.7 | 173.1 | -76.1 | 175.5 | -7.3 | 0 | 0 | 112.8 | R27 L29 Q34 | R27-Q31 WeakPolarHBondContact O-CB 3.37Å; R27-Q31 VanDerWaalsContact O-CG 3.26Å; R27-Q31 WeakPolarHBondContact O-CG 3.22Å; R27-Q31 PolarHBondContact O-N 3.08Å; L29-Q31 VanDerWaalsContact C-N 3.32Å; L29-Q31 PolarHBondContact O-N 2.98Å; Q31-Q34 WeakPolarHBondContact O-CG 3.48Å |
| 32 | A | 92.6 | Very high | 89.3 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 10% | 0.099 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.7 | -37.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | L28 L29 L30 Q34 A35 G39 R42 V46 | L28-A32 PolarHBondContact O-N 3.27Å; L29-A32 PolarHBondContact O-N 3.02Å; L29-A32 VanDerWaalsContact O-N 3.15Å; L30-A32 VanDerWaalsContact C-N 3.33Å; L30-A32 PolarHBondContact O-N 3.41Å; A32-Q34 VanDerWaalsContact C-N 3.32Å; A32-Q34 PolarHBondContact O-N 3.34Å; A32-A35 WeakPolarHBondContact O-CB 3.49Å; A32-A35 PolarHBondContact O-N 3.44Å; A32-G39 VanDerWaalsContact O-CA 3.28Å; A32-G39 WeakPolarHBondContact O-CA 3.43Å; A32-R42 HydrophobicContact CB-CB 4.21Å; A32-V46 HydrophobicContact CB-CG2 3.72Å |
| 33 | L | 93.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.7 | -28.9 | 179.8 | -70.6 | 170.6 | 0 | 0 | 0 | 113 | L29 L30 N97 L98 L101 | L29-L33 HydrophobicContact CG-CD1 4.12Å; L29-L33 VanDerWaalsContact O-CG 3.28Å; L29-L33 WeakPolarHBondContact O-CG 3.43Å; L29-L33 PolarHBondContact O-N 2.99Å; L30-L33 HydrophobicContact CD2-CD1 4.21Å; L30-L33 PolarHBondContact O-N 3.5Å; L33-N97 HydrophobicContact CB-CB 4.35Å; L33-N97 HydrophobicContact CD2-CB 3.82Å; L33-N97 PolarHBondContact O-ND2 2.89Å; L33-L98 HydrophobicContact CD1-CB 4.08Å; L33-L98 HydrophobicContact CD1-CD1 3.81Å; L33-L101 HydrophobicContact CD1-CD2 4.3Å; L33-L101 HydrophobicContact CD2-CB 4.17Å; L33-L101 HydrophobicContact CD2-CD2 3.98Å |
| 34 | Q | 92.7 | Very high | 90 | Very high | 75 Ų | 75 | 54.4 Ų | 54.4 | 35% | 0.35 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -8 | 175.4 | 66.5 | -173.7 | 42.5 | 0 | 0 | 114.1 | L30 Q31 A32 G36 C94 | L30-Q34 WeakPolarHBondContact O-CG 3.44Å; L30-Q34 PolarHBondContact O-N 3.2Å; Q31-Q34 WeakPolarHBondContact O-CG 3.48Å; A32-Q34 VanDerWaalsContact C-N 3.32Å; A32-Q34 PolarHBondContact O-N 3.34Å; Q34-G36 PolarHBondContact O-N 2.77Å; Q34-C94 HydrophobicContact CB-CB 4.3Å |
| 35 | A | 86.8 | Confident | 90.3 | Very high | 56 Ų | 56 | 53.5 Ų | 53.5 | 46% | 0.463 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -75.4 | 28.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | A32 | A32-A35 WeakPolarHBondContact O-CB 3.49Å; A32-A35 PolarHBondContact O-N 3.44Å |
| 36 | G | 86.8 | Confident | 90.4 | Very high | 22 Ų | 22 | 53.1 Ų | 53.1 | 23% | 0.227 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 102.4 | -166.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q34 E38 G39 N97 | Q34-G36 PolarHBondContact O-N 2.77Å; G36-E38 VanDerWaalsContact C-N 3.25Å; G36-E38 PolarHBondContact O-N 3.1Å; G36-G39 PolarHBondContact O-N 2.97Å; G36-N97 PolarHBondContact O-ND2 3.22Å |
| 37 | P | 84.7 | Confident | 90.4 | Very high | 111 Ų | 111 | 53.7 Ų | 53.7 | 72% | 0.721 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -23.2 | -171.7 | 26.1 | -34.7 | 0 | 0 | 0 | 114 | G39 | P37-G39 PolarHBondContact O-N 3.32Š|
| 38 | E | 86.7 | Confident | 90.3 | Very high | 94 Ų | 94 | 56.6 Ų | 56.6 | 44% | 0.439 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 7.9 | 174.3 | -68.9 | -65.1 | 142.3 | 0 | 0 | 112.9 | G36 A40 R41 R42 | G36-E38 VanDerWaalsContact C-N 3.25Å; G36-E38 PolarHBondContact O-N 3.1Å; E38-A40 VanDerWaalsContact C-N 3.3Å; E38-A40 PolarHBondContact O-N 3.48Å; E38-R41 WeakPolarHBondContact O-CB 3.32Å; E38-R41 PolarHBondContact O-N 3Å; E38-R41 WeakPolarHBondContact OE2-CD 3.34Å; E38-R41 IonicContact OE2-CZ 3.83Å; E38-R41 IonicContact OE2-NE 2.76Å; E38-R41 PolarHBondContact OE2-NE 2.82Å; E38-R42 PolarHBondContact O-N 3.38Å |
| 39 | G | 90.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.3 | -38.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A32 G36 P37 R41 R42 G43 N97 | A32-G39 VanDerWaalsContact O-CA 3.28Å; A32-G39 WeakPolarHBondContact O-CA 3.43Å; G36-G39 PolarHBondContact O-N 2.97Å; P37-G39 PolarHBondContact O-N 3.32Å; G39-R41 PolarHBondContact O-N 3.22Å; G39-R42 PolarHBondContact O-N 3.12Å; G39-G43 PolarHBondContact O-N 3.16Å; G39-N97 WeakPolarHBondContact CA-ND2 3.36Å |
| 40 | A | 91.9 | Very high | 89.7 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E38 G43 L44 N97 L101 | E38-A40 VanDerWaalsContact C-N 3.3Å; E38-A40 PolarHBondContact O-N 3.48Å; A40-G43 PolarHBondContact O-N 2.85Å; A40-L44 PolarHBondContact O-N 3.39Å; A40-N97 HydrophobicContact CB-CB 4.33Å; A40-N97 WeakPolarHBondContact CB-O 3.35Å; A40-L101 HydrophobicContact CB-CB 4.5Å |
| 41 | R | 89.9 | Confident | 88.9 | Confident | 179 Ų | 179 | 59.4 Ų | 59.4 | 68% | 0.675 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66.9 | -41.6 | 177.5 | -169.1 | 174.7 | 75.6 | 123.2 | 12.5 | 111.4 | E38 G39 L44 G45 | E38-R41 WeakPolarHBondContact O-CB 3.32Å; E38-R41 PolarHBondContact O-N 3Å; E38-R41 WeakPolarHBondContact OE2-CD 3.34Å; E38-R41 IonicContact OE2-CZ 3.83Å; E38-R41 IonicContact OE2-NE 2.76Å; E38-R41 PolarHBondContact OE2-NE 2.82Å; G39-R41 PolarHBondContact O-N 3.22Å; R41-L44 PolarHBondContact O-N 2.94Å; R41-G45 PolarHBondContact O-N 3.09Å |
| 42 | R | 90.8 | Very high | 88 | Confident | 148 Ų | 148 | 65.4 Ų | 65.4 | 56% | 0.558 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.7 | -43.8 | 174.7 | -69.1 | -179.6 | -177.5 | -92.5 | 4 | 111.5 | A32 E38 G39 L44 G45 V46 | A32-R42 HydrophobicContact CB-CB 4.21Å; E38-R42 PolarHBondContact O-N 3.38Å; G39-R42 PolarHBondContact O-N 3.12Å; R42-L44 VanDerWaalsContact C-N 3.31Å; R42-L44 PolarHBondContact O-N 2.84Å; R42-G45 CarbonylContact O-C 3.5Å; R42-G45 VanDerWaalsContact O-CA 3.32Å; R42-G45 WeakPolarHBondContact O-CA 3.38Å; R42-G45 PolarHBondContact O-N 3.15Å; R42-V46 PolarHBondContact O-N 3.4Å |
| 43 | G | 92.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.8 | -41.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | G39 A40 G45 V46 L47 | G39-G43 PolarHBondContact O-N 3.16Å; A40-G43 PolarHBondContact O-N 2.85Å; G43-G45 VanDerWaalsContact C-N 3.3Å; G43-G45 PolarHBondContact O-N 3.04Å; G43-V46 WeakPolarHBondContact O-CB 3.28Å; G43-V46 PolarHBondContact O-N 2.85Å; G43-V46 VanDerWaalsContact O-N 3.15Å; G43-L47 WeakPolarHBondContact O-CG 3.37Å; G43-L47 PolarHBondContact O-N 3.32Å |
| 44 | L | 91.6 | Very high | 85 | Confident | 41 Ų | 41 | 78.2 Ų | 78.2 | 22% | 0.215 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.3 | -37.6 | 172.1 | -170.8 | 66 | 0 | 0 | 0 | 112.2 | A40 R41 R42 L47 R48 L101 V105 | A40-L44 PolarHBondContact O-N 3.39Å; R41-L44 PolarHBondContact O-N 2.94Å; R42-L44 VanDerWaalsContact C-N 3.31Å; R42-L44 PolarHBondContact O-N 2.84Å; L44-L47 PolarHBondContact O-N 3.15Å; L44-R48 VanDerWaalsContact CD2-NH2 3.35Å; L44-R48 VanDerWaalsContact O-CG 3.28Å; L44-R48 WeakPolarHBondContact O-CG 3.35Å; L44-R48 PolarHBondContact O-N 3.28Å; L44-L101 HydrophobicContact CB-CD1 3.98Å; L44-L101 HydrophobicContact CD1-CD1 4.3Å; L44-V105 HydrophobicContact CD1-CG1 3.74Å |
| 45 | G | 90.3 | Very high | 83.4 | Confident | 33 Ų | 33 | 83.8 Ų | 83.8 | 34% | 0.34 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R41 R42 G43 R48 A49 | R41-G45 PolarHBondContact O-N 3.09Å; R42-G45 CarbonylContact O-C 3.5Å; R42-G45 VanDerWaalsContact O-CA 3.32Å; R42-G45 WeakPolarHBondContact O-CA 3.38Å; R42-G45 PolarHBondContact O-N 3.15Å; G43-G45 VanDerWaalsContact C-N 3.3Å; G43-G45 PolarHBondContact O-N 3.04Å; G45-R48 PolarHBondContact O-N 3.03Å; G45-A49 WeakPolarHBondContact O-CB 3.3Å; G45-A49 PolarHBondContact O-N 3.48Å |
| 46 | V | 90.6 | Very high | 82.3 | Confident | 35 Ų | 35 | 88.9 Ų | 88.9 | 21% | 0.212 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 175.4 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | L28 A32 R42 G43 R48 A49 L50 | L28-V46 HydrophobicContact CB-CG1 4.29Å; A32-V46 HydrophobicContact CB-CG2 3.72Å; R42-V46 PolarHBondContact O-N 3.4Å; G43-V46 WeakPolarHBondContact O-CB 3.28Å; G43-V46 PolarHBondContact O-N 2.85Å; G43-V46 VanDerWaalsContact O-N 3.15Å; V46-R48 VanDerWaalsContact C-N 3.31Å; V46-R48 PolarHBondContact O-N 3.33Å; V46-A49 PolarHBondContact O-N 2.87Å; V46-A49 VanDerWaalsContact O-N 3.13Å; V46-L50 HydrophobicContact CG1-CD1 3.91Å; V46-L50 HydrophobicContact CG1-CG 4.31Å; V46-L50 WeakPolarHBondContact O-CG 3.47Å; V46-L50 PolarHBondContact O-N 3.21Å |
| 47 | L | 89.9 | Confident | 81.7 | Confident | 22 Ų | 22 | 93.6 Ų | 93.6 | 12% | 0.115 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -60 | -40.8 | 178.1 | -67.4 | 170.1 | 0 | 0 | 0 | 112.3 | L29 G43 L44 L50 G51 F58 W60 L101 V105 | L29-L47 HydrophobicContact CD1-CD1 4.5Å; L29-L47 HydrophobicContact CD1-CD2 4.37Å; L29-L47 HydrophobicContact CD1-CG 4.1Å; L29-L47 HydrophobicContact CD2-CD2 4.36Å; G43-L47 WeakPolarHBondContact O-CG 3.37Å; G43-L47 PolarHBondContact O-N 3.32Å; L44-L47 PolarHBondContact O-N 3.15Å; L47-L50 PolarHBondContact O-N 3.22Å; L47-G51 PolarHBondContact O-N 3.43Å; L47-F58 HydrophobicContact CD2-CB 3.91Å; L47-F58 HydrophobicContact CD2-CD1 3.77Å; L47-F58 HydrophobicContact CD2-CD2 3.78Å; L47-F58 HydrophobicContact CD2-CE1 4.23Å; L47-F58 HydrophobicContact CD2-CE2 4.23Å; L47-F58 HydrophobicContact CD2-CG 3.52Å; L47-F58 HydrophobicContact CD2-CZ 4.44Å; L47-W60 HydrophobicContact CD1-CH2 3.81Å; L47-W60 HydrophobicContact CD1-CZ2 3.47Å; L47-W60 VanDerWaalsContact CD1-CZ2 3.47Å; L47-W60 HydrophobicContact CD2-CH2 4.38Å; L47-W60 HydrophobicContact CD2-CZ2 3.96Å; L47-W60 HydrophobicContact CG-CZ2 4.37Å; L47-L101 HydrophobicContact CD1-CD1 4.06Å; L47-L101 HydrophobicContact CD1-CD2 4.19Å; L47-L101 HydrophobicContact CD1-CG 4.47Å; L47-V105 HydrophobicContact CD1-CG1 3.93Å |
| 48 | R | 88.7 | Confident | 81.8 | Confident | 157 Ų | 157 | 90.2 Ų | 90.2 | 59% | 0.592 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65.3 | -40 | 175 | -71.2 | 170.6 | -176.5 | 175.2 | 0.9 | 112 | L44 G45 V46 G51 R52 | L44-R48 VanDerWaalsContact CD2-NH2 3.35Å; L44-R48 VanDerWaalsContact O-CG 3.28Å; L44-R48 WeakPolarHBondContact O-CG 3.35Å; L44-R48 PolarHBondContact O-N 3.28Å; G45-R48 PolarHBondContact O-N 3.03Å; V46-R48 VanDerWaalsContact C-N 3.31Å; V46-R48 PolarHBondContact O-N 3.33Å; R48-G51 PolarHBondContact O-N 3.16Å; R48-R52 WeakPolarHBondContact O-CG 3.34Å; R48-R52 PolarHBondContact O-N 2.86Å |
| 49 | A | 85.6 | Confident | 81.9 | Confident | 52 Ų | 52 | 89.4 Ų | 89.4 | 43% | 0.43 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G45 V46 R52 | G45-A49 WeakPolarHBondContact O-CB 3.3Å; G45-A49 PolarHBondContact O-N 3.48Å; V46-A49 PolarHBondContact O-N 2.87Å; V46-A49 VanDerWaalsContact O-N 3.13Å; A49-R52 PolarHBondContact O-N 3.14Å |
| 50 | L | 82.9 | Confident | 81.9 | Confident | 40 Ų | 40 | 90.1 Ų | 90.1 | 21% | 0.209 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 173.8 | -68.6 | 172 | 0 | 0 | 0 | 111.1 | P25 V46 L47 R52 R53 F58 | P25-L50 HydrophobicContact CB-CD1 4.08Å; V46-L50 HydrophobicContact CG1-CD1 3.91Å; V46-L50 HydrophobicContact CG1-CG 4.31Å; V46-L50 WeakPolarHBondContact O-CG 3.47Å; V46-L50 PolarHBondContact O-N 3.21Å; L47-L50 PolarHBondContact O-N 3.22Å; L50-R52 PolarHBondContact O-N 3.43Å; L50-R53 PolarHBondContact O-N 3.15Å; L50-F58 HydrophobicContact CD1-CD2 3.97Å; L50-F58 HydrophobicContact CD1-CE2 4.37Å |
| 51 | G | 76.9 | Confident | 81.8 | Confident | 54 Ų | 54 | 90.6 Ų | 90.6 | 56% | 0.557 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -67.6 | -29.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L47 R48 R53 | L47-G51 PolarHBondContact O-N 3.43Å; R48-G51 PolarHBondContact O-N 3.16Å; G51-R53 VanDerWaalsContact C-N 3.34Å |
| 52 | R | 72.5 | Confident | 81.8 | Confident | 224 Ų | 224 | 88.9 Ų | 88.9 | 85% | 0.845 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -74.5 | -20.8 | 178.6 | -78 | 178.9 | -176.3 | -114 | 2.9 | 114 | R48 A49 L50 G54 | R48-R52 WeakPolarHBondContact O-CG 3.34Å; R48-R52 PolarHBondContact O-N 2.86Å; A49-R52 PolarHBondContact O-N 3.14Å; L50-R52 PolarHBondContact O-N 3.43Å; R52-G54 PolarHBondContact O-N 3.17Å |
| 53 | R | 66.8 | Low | 81.8 | Confident | 206 Ų | 206 | 82 Ų | 82 | 78% | 0.777 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 7.2 | -177.9 | -73.7 | -174.2 | 177.5 | -170.7 | 0 | 113.9 | L50 G51 W55 | L50-R53 PolarHBondContact O-N 3.15Å; G51-R53 VanDerWaalsContact C-N 3.34Å; R53-W55 PolarHBondContact O-N 3.27Å |
| 54 | G | 55.6 | Low | 81.8 | Confident | 75 Ų | 75 | 82 Ų | 82 | 77% | 0.773 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 17.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R52 | R52-G54 PolarHBondContact O-N 3.17Š|
| 55 | W | 59.2 | Low | 81.8 | Confident | 191 Ų | 191 | 86.9 Ų | 86.9 | 72% | 0.723 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -74 | 154.1 | 172 | -135.9 | -73.5 | 0 | 0 | 0 | 110 | R53 | R53-W55 PolarHBondContact O-N 3.27Š|
| 56 | E | 63.8 | Low | 81.8 | Confident | 163 Ų | 163 | 86.4 Ų | 86.4 | 76% | 0.762 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -50.2 | 151.4 | 169.6 | -69.9 | -177 | 163.7 | 0 | 0 | 111.4 | F58 | E56-F58 PolarHBondContact O-N 3.3Š|
| 57 | P | 74.4 | Confident | 81.9 | Confident | 121 Ų | 121 | 84.7 Ų | 84.7 | 79% | 0.786 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -49.1 | 140.6 | 177.2 | -23.8 | 32.3 | 0 | 0 | 0 | 111.1 | D59 | P57-D59 PolarHBondContact O-N 3.43Å; P57-D59 VanDerWaalsContact O-N 3.13Å |
| 58 | F | 86.4 | Confident | 81.9 | Confident | 40 Ų | 40 | 85 Ų | 85 | 18% | 0.175 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 122.7 | 178.3 | -177.7 | -93.3 | 0 | 0 | 0 | 110.3 | P25 L29 L47 L50 E56 W60 L63 | P25-F58 HydrophobicContact CB-CD2 4.16Å; P25-F58 HydrophobicContact CB-CE2 3.85Å; L29-F58 HydrophobicContact CD2-CE1 4.01Å; L29-F58 HydrophobicContact CD2-CE2 4.38Å; L29-F58 HydrophobicContact CD2-CZ 3.66Å; L47-F58 HydrophobicContact CD2-CB 3.91Å; L47-F58 HydrophobicContact CD2-CD1 3.77Å; L47-F58 HydrophobicContact CD2-CD2 3.78Å; L47-F58 HydrophobicContact CD2-CE1 4.23Å; L47-F58 HydrophobicContact CD2-CE2 4.23Å; L47-F58 HydrophobicContact CD2-CG 3.52Å; L47-F58 HydrophobicContact CD2-CZ 4.44Å; L50-F58 HydrophobicContact CD1-CD2 3.97Å; L50-F58 HydrophobicContact CD1-CE2 4.37Å; E56-F58 PolarHBondContact O-N 3.3Å; F58-W60 VanDerWaalsContact C-N 3.34Å; F58-W60 AromaticContact CD1-CD2 3.62Å; F58-W60 HydrophobicContact CD1-CD2 3.62Å; F58-W60 AromaticContact CD1-CE2 3.66Å; F58-W60 HydrophobicContact CD1-CE3 4.06Å; F58-W60 AromaticContact CD1-CG 3.94Å; F58-W60 HydrophobicContact CD1-CG 3.94Å; F58-W60 HydrophobicContact CD1-CZ2 4.14Å; F58-W60 HydrophobicContact CD1-CZ3 4.49Å; F58-W60 AromaticContact CD1-NE1 3.95Å; F58-W60 AromaticContact CE1-CD2 3.82Å; F58-W60 HydrophobicContact CE1-CD2 3.82Å; F58-W60 AromaticContact CE1-CE3 3.76Å; F58-W60 HydrophobicContact CE1-CE3 3.76Å; F58-W60 HydrophobicContact CE1-CG 4.41Å; F58-W60 HydrophobicContact CE1-CH2 4.36Å; F58-W60 HydrophobicContact CE1-CZ2 4.43Å; F58-W60 HydrophobicContact CE1-CZ3 4.04Å; F58-W60 PolarHBondContact O-N 2.67Å; F58-L63 HydrophobicContact CE1-CB 4.25Å; F58-L63 HydrophobicContact CE1-CD2 3.78Å; F58-L63 HydrophobicContact CZ-CB 4.45Å; F58-L63 HydrophobicContact CZ-CD2 3.92Å |
| 59 | D | 88.9 | Confident | 81.9 | Confident | 77 Ų | 77 | 85.3 Ų | 85.3 | 41% | 0.412 | 43% | 0.43 | S | S | . | . | trans | -76 | 85.2 | -176.4 | -169 | -18.3 | 0 | 0 | 0 | 110.8 | P57 G61 R62 L63 | P57-D59 PolarHBondContact O-N 3.43Å; P57-D59 VanDerWaalsContact O-N 3.13Å; D59-G61 PolarHBondContact O-N 3.18Å; D59-G61 WeakPolarHBondContact OD1-CA 3.35Å; D59-G61 PolarHBondContact OD1-N 3.01Å; D59-R62 HydrophobicContact CB-CB 4.39Å; D59-R62 PolarHBondContact OD1-N 3.36Å; D59-R62 WeakPolarHBondContact OD2-CD 3.37Å; D59-R62 WeakPolarHBondContact OD2-CG 3.46Å; D59-R62 IonicContact OD2-NE 2.65Å; D59-R62 PolarHBondContact OD2-NE 3.42Å; D59-L63 PolarHBondContact O-N 3.09Å | ||
| 60 | W | 90.9 | Very high | 82 | Confident | 15 Ų | 15 | 88.3 Ų | 88.3 | 6% | 0.057 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.1 | -28.7 | 174.6 | -72.9 | 112.7 | 0 | 0 | 0 | 113 | L29 L47 F58 L63 L64 L101 L102 V105 L109 P110 | L29-W60 HydrophobicContact CD2-CH2 4.17Å; L29-W60 HydrophobicContact CD2-CZ3 4.22Å; L47-W60 HydrophobicContact CD1-CH2 3.81Å; L47-W60 HydrophobicContact CD1-CZ2 3.47Å; L47-W60 VanDerWaalsContact CD1-CZ2 3.47Å; L47-W60 HydrophobicContact CD2-CH2 4.38Å; L47-W60 HydrophobicContact CD2-CZ2 3.96Å; L47-W60 HydrophobicContact CG-CZ2 4.37Å; F58-W60 VanDerWaalsContact C-N 3.34Å; F58-W60 AromaticContact CD1-CD2 3.62Å; F58-W60 HydrophobicContact CD1-CD2 3.62Å; F58-W60 AromaticContact CD1-CE2 3.66Å; F58-W60 HydrophobicContact CD1-CE3 4.06Å; F58-W60 AromaticContact CD1-CG 3.94Å; F58-W60 HydrophobicContact CD1-CG 3.94Å; F58-W60 HydrophobicContact CD1-CZ2 4.14Å; F58-W60 HydrophobicContact CD1-CZ3 4.49Å; F58-W60 AromaticContact CD1-NE1 3.95Å; F58-W60 AromaticContact CE1-CD2 3.82Å; F58-W60 HydrophobicContact CE1-CD2 3.82Å; F58-W60 AromaticContact CE1-CE3 3.76Å; F58-W60 HydrophobicContact CE1-CE3 3.76Å; F58-W60 HydrophobicContact CE1-CG 4.41Å; F58-W60 HydrophobicContact CE1-CH2 4.36Å; F58-W60 HydrophobicContact CE1-CZ2 4.43Å; F58-W60 HydrophobicContact CE1-CZ3 4.04Å; F58-W60 PolarHBondContact O-N 2.67Å; W60-L63 HydrophobicContact CE3-CD2 3.92Å; W60-L63 HydrophobicContact CZ3-CD2 3.79Å; W60-L63 PolarHBondContact O-N 3.08Å; W60-L64 WeakPolarHBondContact O-CB 3.42Å; W60-L64 WeakPolarHBondContact O-CD1 3.44Å; W60-L64 WeakPolarHBondContact O-CG 3.44Å; W60-L64 PolarHBondContact O-N 3.43Å; W60-L101 HydrophobicContact CH2-CD2 4.11Å; W60-L101 HydrophobicContact CH2-CG 4.41Å; W60-L102 HydrophobicContact CE3-CD2 4.25Å; W60-L102 HydrophobicContact CH2-CD2 4.44Å; W60-L102 HydrophobicContact CZ3-CD2 3.79Å; W60-V105 HydrophobicContact CH2-CG2 3.61Å; W60-V105 HydrophobicContact CZ2-CB 3.99Å; W60-V105 HydrophobicContact CZ2-CG1 4.25Å; W60-V105 HydrophobicContact CZ2-CG2 3.35Å; W60-V105 HydrophobicContact CZ3-CG2 4.47Å; W60-L109 HydrophobicContact CB-CD2 3.97Å; W60-L109 HydrophobicContact CD2-CD2 3.24Å; W60-L109 HydrophobicContact CE3-CD2 3.45Å; W60-L109 VanDerWaalsContact CE3-CD2 3.45Å; W60-L109 HydrophobicContact CG-CD2 3.49Å; W60-L109 VanDerWaalsContact CG-CD2 3.49Å; W60-L109 HydrophobicContact CH2-CD2 4.37Å; W60-L109 HydrophobicContact CZ2-CD2 4.2Å; W60-L109 HydrophobicContact CZ3-CD2 4.03Å; W60-P110 HydrophobicContact CB-CG 4.42Å |
| 61 | G | 89.4 | Confident | 81.9 | Confident | 30 Ų | 30 | 87.5 Ų | 87.5 | 31% | 0.309 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.6 | -54 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | D59 L63 L64 E65 | D59-G61 PolarHBondContact O-N 3.18Å; D59-G61 WeakPolarHBondContact OD1-CA 3.35Å; D59-G61 PolarHBondContact OD1-N 3.01Å; G61-L63 VanDerWaalsContact C-N 3.33Å; G61-L63 PolarHBondContact O-N 3.12Å; G61-L64 PolarHBondContact O-N 3.29Å; G61-E65 WeakPolarHBondContact O-CB 3.47Å; G61-E65 PolarHBondContact O-N 3.07Å |
| 62 | R | 89.3 | Confident | 82.1 | Confident | 143 Ų | 143 | 89.2 Ų | 89.2 | 54% | 0.54 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.2 | -41.7 | 177.2 | -76.3 | -178.6 | -163 | -139.5 | -5.8 | 113 | E23 D59 A66 | E23-R62 IonicContact OE1-CZ 2.61Å; E23-R62 IonicContact OE1-NH1 2.9Å; E23-R62 PolarHBondContact OE1-NH1 3.09Å; D59-R62 HydrophobicContact CB-CB 4.39Å; D59-R62 PolarHBondContact OD1-N 3.36Å; D59-R62 WeakPolarHBondContact OD2-CD 3.37Å; D59-R62 WeakPolarHBondContact OD2-CG 3.46Å; D59-R62 IonicContact OD2-NE 2.65Å; D59-R62 PolarHBondContact OD2-NE 3.42Å; R62-A66 VanDerWaalsContact O-CB 3.26Å; R62-A66 WeakPolarHBondContact O-CB 3.47Å; R62-A66 PolarHBondContact O-N 2.94Å |
| 63 | L | 92.1 | Very high | 82.4 | Confident | 4 Ų | 4 | 79.9 Ų | 79.9 | 2% | 0.021 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.8 | -49.4 | 179.3 | 177.7 | 68.2 | 0 | 0 | 0 | 111.4 | L22 A26 L29 F58 D59 W60 G61 E65 A66 L67 | L22-L63 HydrophobicContact CD1-CD1 4.42Å; A26-L63 HydrophobicContact CB-CD1 3.86Å; L29-L63 HydrophobicContact CD2-CD2 3.8Å; F58-L63 HydrophobicContact CE1-CB 4.25Å; F58-L63 HydrophobicContact CE1-CD2 3.78Å; F58-L63 HydrophobicContact CZ-CB 4.45Å; F58-L63 HydrophobicContact CZ-CD2 3.92Å; D59-L63 PolarHBondContact O-N 3.09Å; W60-L63 HydrophobicContact CE3-CD2 3.92Å; W60-L63 HydrophobicContact CZ3-CD2 3.79Å; W60-L63 PolarHBondContact O-N 3.08Å; G61-L63 VanDerWaalsContact C-N 3.33Å; G61-L63 PolarHBondContact O-N 3.12Å; L63-E65 VanDerWaalsContact C-N 3.31Å; L63-E65 PolarHBondContact O-N 3.24Å; L63-A66 PolarHBondContact O-N 3.43Å; L63-L67 HydrophobicContact CD1-CD1 4.38Å; L63-L67 HydrophobicContact CD1-CG 4.36Å; L63-L67 HydrophobicContact CG-CD1 4.04Å; L63-L67 HydrophobicContact CG-CG 4.44Å; L63-L67 VanDerWaalsContact O-CG 3.29Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 2.87Å |
| 64 | L | 92.5 | Very high | 83 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.5 | -38.8 | -177.6 | -66.9 | 168.8 | 0 | 0 | 0 | 111 | W60 G61 L67 C68 L102 P110 V117 | W60-L64 WeakPolarHBondContact O-CB 3.42Å; W60-L64 WeakPolarHBondContact O-CD1 3.44Å; W60-L64 WeakPolarHBondContact O-CG 3.44Å; W60-L64 PolarHBondContact O-N 3.43Å; G61-L64 PolarHBondContact O-N 3.29Å; L64-L67 HydrophobicContact CD2-CD1 4.43Å; L64-L67 PolarHBondContact O-N 3.43Å; L64-C68 PolarHBondContact O-N 3.29Å; L64-C68 VanDerWaalsContact O-N 3.16Å; L64-C68 PolarHBondContact O-SG 3.3Å; L64-L102 HydrophobicContact CD2-CD1 4.47Å; L64-L102 HydrophobicContact CD2-CD2 4.14Å; L64-P110 HydrophobicContact CD1-CG 3.71Å; L64-V117 HydrophobicContact CB-CG2 4.23Å; L64-V117 HydrophobicContact CD2-CB 4.38Å; L64-V117 HydrophobicContact CD2-CG2 3.67Å |
| 65 | E | 91.8 | Very high | 83.8 | Confident | 143 Ų | 143 | 74 Ų | 74 | 67% | 0.668 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.8 | -47 | 172.9 | -173.9 | 177.3 | -176.8 | 0 | 0 | 111.5 | G61 L63 L67 C68 R69 | G61-E65 WeakPolarHBondContact O-CB 3.47Å; G61-E65 PolarHBondContact O-N 3.07Å; L63-E65 VanDerWaalsContact C-N 3.31Å; L63-E65 PolarHBondContact O-N 3.24Å; E65-L67 VanDerWaalsContact C-N 3.31Å; E65-L67 PolarHBondContact O-N 3.49Å; E65-C68 PolarHBondContact O-N 3.08Å; E65-R69 PolarHBondContact O-N 3.13Å |
| 66 | A | 90.7 | Very high | 84.2 | Confident | 22 Ų | 22 | 67.7 Ų | 67.7 | 18% | 0.182 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.8 | -35.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L22 R62 L63 C68 R69 | L22-A66 HydrophobicContact CD2-CB 3.49Å; L22-A66 VanDerWaalsContact CD2-CB 3.49Å; R62-A66 VanDerWaalsContact O-CB 3.26Å; R62-A66 WeakPolarHBondContact O-CB 3.47Å; R62-A66 PolarHBondContact O-N 2.94Å; L63-A66 PolarHBondContact O-N 3.43Å; A66-C68 VanDerWaalsContact C-N 3.26Å; A66-C68 PolarHBondContact O-N 3.13Å; A66-R69 WeakPolarHBondContact O-CB 3.47Å; A66-R69 PolarHBondContact O-N 3.25Å |
| 67 | L | 91.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.8 | -31.9 | 173.7 | -73 | 169.1 | 0 | 0 | 0 | 112.6 | L63 L64 E65 L86 L87 L90 L98 V117 | L63-L67 HydrophobicContact CD1-CD1 4.38Å; L63-L67 HydrophobicContact CD1-CG 4.36Å; L63-L67 HydrophobicContact CG-CD1 4.04Å; L63-L67 HydrophobicContact CG-CG 4.44Å; L63-L67 VanDerWaalsContact O-CG 3.29Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 2.87Å; L64-L67 HydrophobicContact CD2-CD1 4.43Å; L64-L67 PolarHBondContact O-N 3.43Å; E65-L67 VanDerWaalsContact C-N 3.31Å; E65-L67 PolarHBondContact O-N 3.49Å; L67-L86 PolarHBondContact O-N 2.95Å; L67-L87 HydrophobicContact CB-CB 4.44Å; L67-L87 HydrophobicContact CD2-CD1 4.44Å; L67-L87 WeakPolarHBondContact O-CB 3.41Å; L67-L87 PolarHBondContact O-N 2.84Å; L67-L90 HydrophobicContact CD2-CD1 3.82Å; L67-L98 HydrophobicContact CD1-CD1 4.5Å; L67-L98 HydrophobicContact CD1-CD2 3.75Å; L67-L98 HydrophobicContact CD2-CD2 4.24Å; L67-V117 HydrophobicContact CB-CG2 4.26Å |
| 68 | C | 90.5 | Very high | 83.9 | Confident | 27 Ų | 27 | 67 Ų | 67 | 18% | 0.182 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -82.6 | -14.7 | 177.9 | -62 | 0 | 0 | 0 | 0 | 113.3 | L64 E65 A66 E70 S116 V117 I120 | L64-C68 PolarHBondContact O-N 3.29Å; L64-C68 VanDerWaalsContact O-N 3.16Å; L64-C68 PolarHBondContact O-SG 3.3Å; E65-C68 PolarHBondContact O-N 3.08Å; A66-C68 VanDerWaalsContact C-N 3.26Å; A66-C68 PolarHBondContact O-N 3.13Å; C68-E70 PolarHBondContact O-N 3.35Å; C68-S116 VanDerWaalsContact SG-CB 3.56Å; C68-V117 VanDerWaalsContact SG-CG2 3.54Å; C68-I120 VanDerWaalsContact CA-CD1 3.47Å; C68-I120 HydrophobicContact CB-CD1 3.54Å |
| 69 | R | 89.1 | Confident | 83.3 | Confident | 164 Ų | 164 | 67.1 Ų | 67.1 | 62% | 0.619 | 38% | 0.376 | S | S | * | . | trans | -65.2 | 127 | -177 | -175.1 | 174.6 | 172.4 | 166.4 | -4.3 | 110.6 | E65 A66 P85 L86 | E65-R69 PolarHBondContact O-N 3.13Å; A66-R69 WeakPolarHBondContact O-CB 3.47Å; A66-R69 PolarHBondContact O-N 3.25Å; R69-P85 WeakPolarHBondContact O-CA 3.47Å; R69-L86 PolarHBondContact O-N 3.42Å | ||
| 70 | E | 86.6 | Confident | 82.8 | Confident | 116 Ų | 116 | 71.8 Ų | 71.8 | 54% | 0.542 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 130.6 | 174.2 | -69.6 | -175.7 | 172 | 0 | 0 | 111.1 | C68 L83 P85 | C68-E70 PolarHBondContact O-N 3.35Å; E70-L83 HydrophobicContact CB-CB 4.17Å; E70-P85 HydrophobicContact CG-CG 4.21Å |
| 71 | E | 82.2 | Confident | 82.3 | Confident | 23 Ų | 23 | 77.2 Ų | 77.2 | 11% | 0.107 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 142.1 | 176.1 | -65.7 | -176.4 | 159.3 | 0 | 0 | 110.1 | V73 K84 R89 | E71-V73 PolarHBondContact O-N 3.37Å; E71-K84 PolarHBondContact N-O 3.42Å; E71-K84 PolarHBondContact O-N 3.04Å; E71-R89 IonicContact OE2-CZ 2.93Å; E71-R89 IonicContact OE2-NH1 2.94Å; E71-R89 PolarHBondContact OE2-NH1 3.15Å |
| 72 | P | 80.6 | Confident | 82 | Confident | 90 Ų | 90 | 80 Ų | 80 | 58% | 0.584 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69 | 124.5 | 176.7 | 28.1 | -32.6 | 0 | 0 | 0 | 110.3 | L81 L83 | P72-L81 HydrophobicContact CB-CD2 4.01Å; P72-L83 HydrophobicContact CB-CD2 4.25Å |
| 73 | V | 79.6 | Confident | 81.7 | Confident | 27 Ų | 27 | 78.3 Ų | 78.3 | 16% | 0.164 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 134.3 | 177.6 | -177 | 0 | 0 | 0 | 0 | 108.9 | E71 E82 K84 R89 | E71-V73 PolarHBondContact O-N 3.37Å; V73-E82 PolarHBondContact N-O 3.08Å; V73-E82 PolarHBondContact O-N 2.89Å; V73-K84 HydrophobicContact CG2-CB 4.01Å; V73-R89 HydrophobicContact CG2-CG 4.21Å |
| 74 | V | 78.9 | Confident | 81.5 | Confident | 95 Ų | 95 | 81.4 Ų | 81.4 | 58% | 0.576 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 122.5 | 174.3 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | R80 L81 | V74-R80 CarbonylContact C-O 3.58Å; V74-R80 WeakPolarHBondContact CA-O 3.48Å; V74-L81 HydrophobicContact CG2-CD2 3.92Å; V74-L81 HydrophobicContact CG2-CG 4.31Å |
| 75 | Q | 72.5 | Confident | 81.3 | Confident | 62 Ų | 62 | 81.9 Ų | 81.9 | 29% | 0.29 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 139.5 | 179.5 | -88.2 | -177.4 | 85.9 | 0 | 0 | 113.2 | R80 E82 | Q75-R80 PolarHBondContact N-O 3.34Å; Q75-R80 PolarHBondContact O-N 3Å; Q75-E82 PolarHBondContact NE2-OE2 3.12Å |
| 76 | G | 66.5 | Low | 81.2 | Confident | 59 Ų | 59 | 75.2 Ų | 75.2 | 61% | 0.608 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 169.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D78 G79 | G76-D78 PolarHBondContact O-N 2.89Å; G76-G79 PolarHBondContact O-N 2.81Å |
| 77 | P | 62.1 | Low | 81.2 | Confident | 134 Ų | 134 | 74.1 Ų | 74.1 | 87% | 0.87 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -18 | 176.9 | 27 | -34 | 0 | 0 | 0 | 113.1 | G79 | P77-G79 VanDerWaalsContact C-N 3.33Š|
| 78 | D | 71 | Confident | 81 | Confident | 137 Ų | 137 | 76.1 Ų | 76.1 | 73% | 0.733 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -3.1 | -179.1 | -57.9 | -28.6 | 0 | 0 | 0 | 113.7 | G76 R80 | G76-D78 PolarHBondContact O-N 2.89Å; D78-R80 PolarHBondContact O-N 3.3Å |
| 79 | G | 73.1 | Confident | 80.8 | Confident | 41 Ų | 41 | 78.8 Ų | 78.8 | 42% | 0.423 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 29.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G76 P77 L81 | G76-G79 PolarHBondContact O-N 2.81Å; P77-G79 VanDerWaalsContact C-N 3.33Å; G79-L81 PolarHBondContact O-N 3.47Å |
| 80 | R | 78.3 | Confident | 80.8 | Confident | 175 Ų | 175 | 71.2 Ų | 71.2 | 66% | 0.66 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 126.4 | -179.4 | -72.9 | -172.1 | 176.8 | -163.6 | -0 | 111.1 | V74 Q75 D78 | V74-R80 CarbonylContact C-O 3.58Å; V74-R80 WeakPolarHBondContact CA-O 3.48Å; Q75-R80 PolarHBondContact N-O 3.34Å; Q75-R80 PolarHBondContact O-N 3Å; D78-R80 PolarHBondContact O-N 3.3Å |
| 81 | L | 80.8 | Confident | 80.8 | Confident | 130 Ų | 130 | 68.5 Ų | 68.5 | 68% | 0.681 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 118.6 | 173.1 | -83.7 | 155 | 0 | 0 | 0 | 110 | P72 V74 G79 | P72-L81 HydrophobicContact CB-CD2 4.01Å; V74-L81 HydrophobicContact CG2-CD2 3.92Å; V74-L81 HydrophobicContact CG2-CG 4.31Å; G79-L81 PolarHBondContact O-N 3.47Å |
| 82 | E | 82.9 | Confident | 81.1 | Confident | 88 Ų | 88 | 71 Ų | 71 | 41% | 0.411 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 141.5 | 173.8 | -68.7 | -174.9 | -176.4 | 0 | 0 | 110 | V73 Q75 | V73-E82 PolarHBondContact N-O 3.08Å; V73-E82 PolarHBondContact O-N 2.89Å; Q75-E82 PolarHBondContact NE2-OE2 3.12Å |
| 83 | L | 83.8 | Confident | 81.5 | Confident | 108 Ų | 108 | 69.7 Ų | 69.7 | 57% | 0.565 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 120.6 | 173.6 | -70.7 | 174.8 | 0 | 0 | 0 | 108.9 | E70 P72 | E70-L83 HydrophobicContact CB-CB 4.17Å; P72-L83 HydrophobicContact CB-CD2 4.25Å |
| 84 | K | 86 | Confident | 82.1 | Confident | 68 Ų | 68 | 68.4 Ų | 68.4 | 30% | 0.296 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 131 | 177.2 | -81.4 | -173.6 | 159.4 | 171.1 | 0 | 110.7 | E71 V73 R89 | E71-K84 PolarHBondContact N-O 3.42Å; E71-K84 PolarHBondContact O-N 3.04Å; V73-K84 HydrophobicContact CG2-CB 4.01Å; K84-R89 HydrophobicContact CB-CG 4.41Å |
| 85 | P | 89.7 | Confident | 82.6 | Confident | 11 Ų | 11 | 64 Ų | 64 | 7% | 0.071 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 142.1 | 171.5 | -27.9 | 36.4 | 0 | 0 | 0 | 112.5 | R69 E70 L87 L88 R89 I120 | R69-P85 WeakPolarHBondContact O-CA 3.47Å; E70-P85 HydrophobicContact CG-CG 4.21Å; P85-L87 PolarHBondContact O-N 3.2Å; P85-L87 VanDerWaalsContact O-N 3.14Å; P85-L88 PolarHBondContact O-N 3.05Å; P85-R89 PolarHBondContact O-N 3.47Å; P85-I120 HydrophobicContact CB-CD1 4.08Å; P85-I120 HydrophobicContact CB-CG2 3.6Å; P85-I120 HydrophobicContact CG-CD1 4.15Å; P85-I120 HydrophobicContact CG-CG1 4.35Å; P85-I120 HydrophobicContact CG-CG2 3.72Å |
| 86 | L | 89.6 | Confident | 83.5 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -52.8 | -38 | 179.1 | 177.6 | 61.6 | 0 | 0 | 0 | 112.2 | P18 L22 L67 R69 L88 R89 L90 | P18-L86 HydrophobicContact CB-CD1 3.87Å; L22-L86 HydrophobicContact CD1-CD2 4.15Å; L22-L86 HydrophobicContact CD2-CD2 4.18Å; L22-L86 HydrophobicContact CG-CD2 4.41Å; L67-L86 PolarHBondContact O-N 2.95Å; R69-L86 PolarHBondContact O-N 3.42Å; L86-L88 VanDerWaalsContact C-N 3.28Å; L86-L88 PolarHBondContact O-N 2.71Å; L86-R89 WeakPolarHBondContact O-CB 3.44Å; L86-R89 PolarHBondContact O-N 3.07Å; L86-L90 PolarHBondContact O-N 2.69Å |
| 87 | L | 90 | Very high | 84.8 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -51.6 | -44.7 | 176.6 | -179.7 | 64 | 0 | 0 | 0 | 112.9 | L67 P85 R89 L90 Q95 L98 M99 V117 I120 A121 | L67-L87 HydrophobicContact CB-CB 4.44Å; L67-L87 HydrophobicContact CD2-CD1 4.44Å; L67-L87 WeakPolarHBondContact O-CB 3.41Å; L67-L87 PolarHBondContact O-N 2.84Å; P85-L87 PolarHBondContact O-N 3.2Å; P85-L87 VanDerWaalsContact O-N 3.14Å; L87-R89 VanDerWaalsContact C-N 3.28Å; L87-R89 PolarHBondContact O-N 3.3Å; L87-L90 HydrophobicContact CD1-CD1 4.37Å; L87-L90 WeakPolarHBondContact O-CB 3.33Å; L87-L90 PolarHBondContact O-N 3.02Å; L87-Q95 PolarHBondContact O-NE2 3.35Å; L87-L98 HydrophobicContact CD1-CD2 3.67Å; L87-M99 HydrophobicContact CD1-CE 4.2Å; L87-M99 HydrophobicContact CD2-CE 4.14Å; L87-V117 HydrophobicContact CD2-CG1 3.89Å; L87-V117 WeakPolarHBondContact CD2-O 3.4Å; L87-I120 HydrophobicContact CB-CG2 4.28Å; L87-I120 HydrophobicContact CD2-CB 4.23Å; L87-I120 HydrophobicContact CD2-CG2 3.96Å; L87-A121 HydrophobicContact CD2-CB 4.07Å |
| 88 | L | 87.3 | Confident | 86.3 | Confident | 41 Ų | 41 | 56.9 Ų | 56.9 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -77.8 | -15.3 | -177.8 | -60 | -176.6 | 0 | 0 | 0 | 112.6 | P85 L86 I120 D124 | P85-L88 PolarHBondContact O-N 3.05Å; L86-L88 VanDerWaalsContact C-N 3.28Å; L86-L88 PolarHBondContact O-N 2.71Å; L88-I120 HydrophobicContact CD1-CG2 4.16Å; L88-I120 HydrophobicContact CD2-CG2 4.26Å; L88-I120 HydrophobicContact CG-CG2 3.89Å; L88-D124 HydrophobicContact CD2-CB 4.47Å |
| 89 | R | 86.6 | Confident | 87.2 | Confident | 84 Ų | 84 | 50.4 Ų | 50.4 | 32% | 0.317 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -82.6 | -15.5 | 172.6 | -58.1 | -173.8 | 66.8 | -169.5 | 3.6 | 112.7 | P18 E71 V73 K84 P85 L86 L87 | P18-R89 HydrophobicContact CB-CB 4.32Å; P18-R89 HydrophobicContact CG-CB 4.32Å; E71-R89 IonicContact OE2-CZ 2.93Å; E71-R89 IonicContact OE2-NH1 2.94Å; E71-R89 PolarHBondContact OE2-NH1 3.15Å; V73-R89 HydrophobicContact CG2-CG 4.21Å; K84-R89 HydrophobicContact CB-CG 4.41Å; P85-R89 PolarHBondContact O-N 3.47Å; L86-R89 WeakPolarHBondContact O-CB 3.44Å; L86-R89 PolarHBondContact O-N 3.07Å; L87-R89 VanDerWaalsContact C-N 3.28Å; L87-R89 PolarHBondContact O-N 3.3Å |
| 90 | L | 87.9 | Confident | 88.1 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -69.8 | 147.3 | 179 | -60.6 | -178.1 | 0 | 0 | 0 | 111 | W19 L30 L67 L86 L87 Q92 C94 Q95 L98 | W19-L90 HydrophobicContact CD2-CD2 4.23Å; W19-L90 HydrophobicContact CE3-CD2 3.29Å; W19-L90 HydrophobicContact CZ3-CD2 3.63Å; L30-L90 HydrophobicContact CD1-CD2 4.43Å; L30-L90 HydrophobicContact CD2-CD1 4.05Å; L67-L90 HydrophobicContact CD2-CD1 3.82Å; L86-L90 PolarHBondContact O-N 2.69Å; L87-L90 HydrophobicContact CD1-CD1 4.37Å; L87-L90 WeakPolarHBondContact O-CB 3.33Å; L87-L90 PolarHBondContact O-N 3.02Å; L90-Q92 PolarHBondContact O-N 3.39Å; L90-C94 HydrophobicContact CB-CB 4.4Å; L90-Q95 HydrophobicContact CB-CG 3.87Å; L90-Q95 PolarHBondContact O-NE2 3.19Å; L90-L98 HydrophobicContact CD1-CD2 4.39Å |
| 91 | P | 88.5 | Confident | 88.8 | Confident | 58 Ų | 58 | 42 Ų | 42 | 38% | 0.377 | 21% | 0.207 | S | C | . | . | trans | -54.1 | 141.9 | 170.4 | -25.3 | 33.8 | 0 | 0 | 0 | 111.6 | W19 I93 C94 Q95 | W19-P91 HydrophobicContact CH2-CG 4.42Å; P91-I93 HydrophobicContact CB-CG2 4.25Å; P91-I93 PolarHBondContact O-N 3.08Å; P91-I93 VanDerWaalsContact O-N 3.14Å; P91-C94 HydrophobicContact CB-CB 4.31Å; P91-C94 WeakPolarHBondContact O-CA 3.21Å; P91-C94 VanDerWaalsContact O-CB 3.23Å; P91-C94 WeakPolarHBondContact O-CB 3.33Å; P91-C94 PolarHBondContact O-N 3.22Å; P91-Q95 PolarHBondContact O-N 2.97Å | ||
| 92 | Q | 87.7 | Confident | 89.3 | Confident | 77 Ų | 77 | 35.8 Ų | 35.8 | 36% | 0.36 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -52.6 | -40.2 | -177.7 | -76.4 | -67.9 | -15.6 | 0 | 0 | 113.2 | L90 C94 Q95 R96 L133 | L90-Q92 PolarHBondContact O-N 3.39Å; Q92-C94 VanDerWaalsContact C-N 3.31Å; Q92-C94 PolarHBondContact O-N 3.45Å; Q92-Q95 PolarHBondContact O-N 2.74Å; Q92-R96 WeakPolarHBondContact O-CG 3.1Å; Q92-R96 PolarHBondContact O-N 3.11Å; Q92-L133 VanDerWaalsContact OE1-CD1 3.29Å |
| 93 | I | 88.7 | Confident | 89.6 | Confident | 61 Ų | 61 | 34.5 Ų | 34.5 | 31% | 0.313 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.6 | -37.9 | 175.7 | -170.3 | 59.8 | 0 | 0 | 0 | 112.5 | P91 R96 N97 | P91-I93 HydrophobicContact CB-CG2 4.25Å; P91-I93 PolarHBondContact O-N 3.08Å; P91-I93 VanDerWaalsContact O-N 3.14Å; I93-R96 PolarHBondContact O-N 3.1Å; I93-N97 WeakPolarHBondContact O-CB 3.48Å; I93-N97 VanDerWaalsContact O-CG 3.24Å; I93-N97 PolarHBondContact O-N 2.84Å; I93-N97 PolarHBondContact O-ND2 3.27Å |
| 94 | C | 91.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.2 | -42.7 | 176.8 | -172.7 | 0 | 0 | 0 | 0 | 110.4 | Q34 L90 P91 Q92 N97 L98 | Q34-C94 HydrophobicContact CB-CB 4.3Å; L90-C94 HydrophobicContact CB-CB 4.4Å; P91-C94 HydrophobicContact CB-CB 4.31Å; P91-C94 WeakPolarHBondContact O-CA 3.21Å; P91-C94 VanDerWaalsContact O-CB 3.23Å; P91-C94 WeakPolarHBondContact O-CB 3.33Å; P91-C94 PolarHBondContact O-N 3.22Å; Q92-C94 VanDerWaalsContact C-N 3.31Å; Q92-C94 PolarHBondContact O-N 3.45Å; C94-N97 PolarHBondContact O-N 2.98Å; C94-L98 WeakPolarHBondContact O-CB 3.49Å; C94-L98 PolarHBondContact O-N 3.23Å |
| 95 | Q | 91.1 | Very high | 89.9 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.019 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.4 | -46.9 | 175 | -60.5 | -177 | 35.3 | 0 | 0 | 111.7 | L87 L90 P91 Q92 N97 L98 M99 L133 | L87-Q95 PolarHBondContact O-NE2 3.35Å; L90-Q95 HydrophobicContact CB-CG 3.87Å; L90-Q95 PolarHBondContact O-NE2 3.19Å; P91-Q95 PolarHBondContact O-N 2.97Å; Q92-Q95 PolarHBondContact O-N 2.74Å; Q95-N97 PolarHBondContact O-N 3.46Å; Q95-L98 WeakPolarHBondContact O-CB 3.16Å; Q95-L98 PolarHBondContact O-N 3.48Å; Q95-M99 WeakPolarHBondContact O-CG 3.46Å; Q95-M99 PolarHBondContact O-N 2.97Å; Q95-L133 HydrophobicContact CB-CD1 3.93Å; Q95-L133 HydrophobicContact CB-CD2 3.86Å |
| 96 | R | 90.7 | Very high | 89.6 | Confident | 94 Ų | 94 | 32.6 Ų | 32.6 | 36% | 0.355 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.6 | -44.1 | 179 | -69.7 | 175.9 | -174.5 | 169.7 | 2.8 | 111.7 | Q92 I93 M99 S100 D130 L133 | Q92-R96 WeakPolarHBondContact O-CG 3.1Å; Q92-R96 PolarHBondContact O-N 3.11Å; I93-R96 PolarHBondContact O-N 3.1Å; R96-M99 PolarHBondContact O-N 3.24Å; R96-S100 WeakPolarHBondContact O-CB 3.28Å; R96-S100 PolarHBondContact O-N 3.49Å; R96-S100 PolarHBondContact O-OG 3.39Å; R96-D130 IonicContact CZ-OD2 3.91Å; R96-D130 IonicContact NE-OD1 3.72Å; R96-D130 PolarHBondContact NE-OD1 3.17Å; R96-D130 IonicContact NE-OD2 2.66Å; R96-D130 PolarHBondContact NE-OD2 2.92Å; R96-D130 IonicContact NH2-OD2 3.73Å; R96-D130 PolarHBondContact NH2-OD2 3.46Å; R96-L133 HydrophobicContact CB-CD2 4.39Å; R96-L133 HydrophobicContact CG-CD2 3.95Å; R96-L133 HydrophobicContact CG-CG 4.02Å |
| 97 | N | 93.4 | Very high | 89.2 | Confident | 10 Ų | 10 | 38.5 Ų | 38.5 | 5% | 0.053 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.4 | -37.7 | 177.4 | -74.2 | -23 | 0 | 0 | 0 | 111.9 | L33 G36 G39 A40 I93 C94 Q95 S100 L101 | L33-N97 HydrophobicContact CB-CB 4.35Å; L33-N97 HydrophobicContact CD2-CB 3.82Å; L33-N97 PolarHBondContact O-ND2 2.89Å; G36-N97 PolarHBondContact O-ND2 3.22Å; G39-N97 WeakPolarHBondContact CA-ND2 3.36Å; A40-N97 HydrophobicContact CB-CB 4.33Å; A40-N97 WeakPolarHBondContact CB-O 3.35Å; I93-N97 WeakPolarHBondContact O-CB 3.48Å; I93-N97 VanDerWaalsContact O-CG 3.24Å; I93-N97 PolarHBondContact O-N 2.84Å; I93-N97 PolarHBondContact O-ND2 3.27Å; C94-N97 PolarHBondContact O-N 2.98Å; Q95-N97 PolarHBondContact O-N 3.46Å; N97-S100 PolarHBondContact O-N 3.14Å; N97-L101 WeakPolarHBondContact O-CB 3.43Å; N97-L101 PolarHBondContact O-N 3.13Å |
| 98 | L | 93.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.2 | -51.3 | 175.1 | 176.9 | 64.2 | 0 | 0 | 0 | 110.3 | L33 L67 L87 L90 C94 Q95 S100 L101 L102 | L33-L98 HydrophobicContact CD1-CB 4.08Å; L33-L98 HydrophobicContact CD1-CD1 3.81Å; L67-L98 HydrophobicContact CD1-CD1 4.5Å; L67-L98 HydrophobicContact CD1-CD2 3.75Å; L67-L98 HydrophobicContact CD2-CD2 4.24Å; L87-L98 HydrophobicContact CD1-CD2 3.67Å; L90-L98 HydrophobicContact CD1-CD2 4.39Å; C94-L98 WeakPolarHBondContact O-CB 3.49Å; C94-L98 PolarHBondContact O-N 3.23Å; Q95-L98 WeakPolarHBondContact O-CB 3.16Å; Q95-L98 PolarHBondContact O-N 3.48Å; L98-S100 VanDerWaalsContact C-N 3.27Å; L98-S100 PolarHBondContact O-N 3.08Å; L98-L101 WeakPolarHBondContact O-CB 3.43Å; L98-L101 PolarHBondContact O-N 2.89Å; L98-L101 VanDerWaalsContact O-N 3.09Å; L98-L102 HydrophobicContact CD1-CD1 4.39Å; L98-L102 HydrophobicContact CD1-CG 4.26Å; L98-L102 HydrophobicContact CG-CD1 4.16Å; L98-L102 HydrophobicContact CG-CG 4.43Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.2Å; L98-L102 PolarHBondContact O-N 2.66Å |
| 99 | M | 91 | Very high | 88.8 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.6 | -39.7 | 177.6 | -65.4 | -60.6 | 161.2 | 0 | 0 | 111.9 | L87 Q95 R96 L102 M103 V117 L118 A121 L133 L136 L140 | L87-M99 HydrophobicContact CD1-CE 4.2Å; L87-M99 HydrophobicContact CD2-CE 4.14Å; Q95-M99 WeakPolarHBondContact O-CG 3.46Å; Q95-M99 PolarHBondContact O-N 2.97Å; R96-M99 PolarHBondContact O-N 3.24Å; M99-L102 PolarHBondContact O-N 2.84Å; M99-L102 HydrophobicContact SD-CD1 4.23Å; M99-M103 PolarHBondContact O-N 2.61Å; M99-M103 VanDerWaalsContact O-N 3.09Å; M99-V117 HydrophobicContact CE-CG1 3.75Å; M99-L118 HydrophobicContact SD-CD2 4.27Å; M99-A121 HydrophobicContact CE-CB 3.77Å; M99-L133 HydrophobicContact CB-CD2 4.47Å; M99-L133 HydrophobicContact CG-CD2 3.76Å; M99-L136 HydrophobicContact CB-CB 3.95Å; M99-L136 HydrophobicContact CB-CD1 3.8Å; M99-L140 HydrophobicContact SD-CD1 4.1Å |
| 100 | S | 91.4 | Very high | 88.9 | Confident | 38 Ų | 38 | 38.9 Ų | 38.9 | 27% | 0.266 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.5 | -37.7 | 175.5 | -57.2 | 0 | 0 | 0 | 0 | 112.6 | R96 N97 L98 M103 A104 | R96-S100 WeakPolarHBondContact O-CB 3.28Å; R96-S100 PolarHBondContact O-N 3.49Å; R96-S100 PolarHBondContact O-OG 3.39Å; N97-S100 PolarHBondContact O-N 3.14Å; L98-S100 VanDerWaalsContact C-N 3.27Å; L98-S100 PolarHBondContact O-N 3.08Å; S100-M103 WeakPolarHBondContact O-CB 3.45Å; S100-A104 PolarHBondContact O-N 3.48Å |
| 101 | L | 93.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.6 | -43.6 | 175 | 177.5 | 66.6 | 0 | 0 | 0 | 111.4 | L29 L33 A40 L44 L47 W60 N97 L98 M103 A104 V105 | L29-L101 HydrophobicContact CD1-CD2 3.74Å; L29-L101 HydrophobicContact CD2-CD2 4.19Å; L29-L101 HydrophobicContact CG-CD2 4.27Å; L33-L101 HydrophobicContact CD1-CD2 4.3Å; L33-L101 HydrophobicContact CD2-CB 4.17Å; L33-L101 HydrophobicContact CD2-CD2 3.98Å; A40-L101 HydrophobicContact CB-CB 4.5Å; L44-L101 HydrophobicContact CB-CD1 3.98Å; L44-L101 HydrophobicContact CD1-CD1 4.3Å; L47-L101 HydrophobicContact CD1-CD1 4.06Å; L47-L101 HydrophobicContact CD1-CD2 4.19Å; L47-L101 HydrophobicContact CD1-CG 4.47Å; W60-L101 HydrophobicContact CH2-CD2 4.11Å; W60-L101 HydrophobicContact CH2-CG 4.41Å; N97-L101 WeakPolarHBondContact O-CB 3.43Å; N97-L101 PolarHBondContact O-N 3.13Å; L98-L101 WeakPolarHBondContact O-CB 3.43Å; L98-L101 PolarHBondContact O-N 2.89Å; L98-L101 VanDerWaalsContact O-N 3.09Å; L101-M103 PolarHBondContact O-N 2.9Å; L101-A104 WeakPolarHBondContact O-CA 3.34Å; L101-A104 WeakPolarHBondContact O-CB 3.48Å; L101-A104 PolarHBondContact O-N 3.5Å; L101-V105 HydrophobicContact CD1-CG1 4.09Å; L101-V105 WeakPolarHBondContact O-CG2 3.44Å; L101-V105 PolarHBondContact O-N 3.24Å |
| 102 | L | 91.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.2 | -38.2 | 177.8 | -67.6 | 174.5 | 0 | 0 | 0 | 111.1 | W60 L64 L98 M99 A104 V105 R106 L109 L114 V117 L140 | W60-L102 HydrophobicContact CE3-CD2 4.25Å; W60-L102 HydrophobicContact CH2-CD2 4.44Å; W60-L102 HydrophobicContact CZ3-CD2 3.79Å; L64-L102 HydrophobicContact CD2-CD1 4.47Å; L64-L102 HydrophobicContact CD2-CD2 4.14Å; L98-L102 HydrophobicContact CD1-CD1 4.39Å; L98-L102 HydrophobicContact CD1-CG 4.26Å; L98-L102 HydrophobicContact CG-CD1 4.16Å; L98-L102 HydrophobicContact CG-CG 4.43Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.2Å; L98-L102 PolarHBondContact O-N 2.66Å; M99-L102 PolarHBondContact O-N 2.84Å; M99-L102 HydrophobicContact SD-CD1 4.23Å; L102-A104 VanDerWaalsContact C-N 3.35Å; L102-A104 PolarHBondContact O-N 2.86Å; L102-V105 PolarHBondContact O-N 2.82Å; L102-R106 WeakPolarHBondContact O-CA 3.35Å; L102-R106 WeakPolarHBondContact O-CB 3.44Å; L102-R106 PolarHBondContact O-N 2.87Å; L102-L109 HydrophobicContact CB-CD1 3.92Å; L102-L109 HydrophobicContact CD2-CD1 3.63Å; L102-L109 HydrophobicContact CD2-CD2 3.89Å; L102-L109 HydrophobicContact CD2-CG 4.44Å; L102-L109 HydrophobicContact CG-CD1 4.35Å; L102-L109 WeakPolarHBondContact O-CD1 3.49Å; L102-L114 HydrophobicContact CB-CD1 4.43Å; L102-L114 HydrophobicContact CD1-CD1 3.95Å; L102-V117 HydrophobicContact CD1-CG1 4.3Å; L102-L140 HydrophobicContact CB-CD1 4.34Å; L102-L140 HydrophobicContact CB-CD2 4.49Å |
| 103 | M | 87.6 | Confident | 88.6 | Confident | 60 Ų | 60 | 43.1 Ų | 43.1 | 30% | 0.296 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.7 | -44 | 170.5 | -80.2 | -66.2 | -62.6 | 0 | 0 | 112.5 | M99 S100 L101 L139 L140 | M99-M103 PolarHBondContact O-N 2.61Å; M99-M103 VanDerWaalsContact O-N 3.09Å; S100-M103 WeakPolarHBondContact O-CB 3.45Å; L101-M103 PolarHBondContact O-N 2.9Å; M103-L139 HydrophobicContact CE-CB 4.45Å; M103-L139 HydrophobicContact SD-CB 4.36Å; M103-L140 HydrophobicContact CB-CD2 4.4Å; M103-L140 HydrophobicContact CG-CD1 4.23Å; M103-L140 HydrophobicContact CG-CD2 3.67Å; M103-L140 HydrophobicContact CG-CG 3.71Å; M103-L140 HydrophobicContact SD-CB 4.24Å; M103-L140 HydrophobicContact SD-CD1 4.46Å; M103-L140 HydrophobicContact SD-CD2 3.25Å; M103-L140 WeakPolarHBondContact SD-CD2 3.49Å; M103-L140 HydrophobicContact SD-CG 3.35Å; M103-L140 WeakPolarHBondContact SD-CG 3.5Å |
| 104 | A | 88.2 | Confident | 88.6 | Confident | 65 Ų | 65 | 40.2 Ų | 40.2 | 54% | 0.537 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -72.1 | -29.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S100 L101 L102 | S100-A104 PolarHBondContact O-N 3.48Å; L101-A104 WeakPolarHBondContact O-CA 3.34Å; L101-A104 WeakPolarHBondContact O-CB 3.48Å; L101-A104 PolarHBondContact O-N 3.5Å; L102-A104 VanDerWaalsContact C-N 3.35Å; L102-A104 PolarHBondContact O-N 2.86Å |
| 105 | V | 88.8 | Confident | 88.3 | Confident | 15 Ų | 15 | 42.8 Ų | 42.8 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -105.9 | 10.1 | -177.4 | -59.3 | 0 | 0 | 0 | 0 | 113.3 | L44 L47 W60 L101 L102 P107 S108 L109 | L44-V105 HydrophobicContact CD1-CG1 3.74Å; L47-V105 HydrophobicContact CD1-CG1 3.93Å; W60-V105 HydrophobicContact CH2-CG2 3.61Å; W60-V105 HydrophobicContact CZ2-CB 3.99Å; W60-V105 HydrophobicContact CZ2-CG1 4.25Å; W60-V105 HydrophobicContact CZ2-CG2 3.35Å; W60-V105 HydrophobicContact CZ3-CG2 4.47Å; L101-V105 HydrophobicContact CD1-CG1 4.09Å; L101-V105 WeakPolarHBondContact O-CG2 3.44Å; L101-V105 PolarHBondContact O-N 3.24Å; L102-V105 PolarHBondContact O-N 2.82Å; V105-P107 VanDerWaalsContact C-N 3.32Å; V105-P107 WeakPolarHBondContact O-CD 3.43Å; V105-S108 PolarHBondContact O-N 3.21Å; V105-S108 PolarHBondContact O-OG 3.2Å; V105-L109 HydrophobicContact CG2-CD1 4.25Å; V105-L109 HydrophobicContact CG2-CD2 3.98Å; V105-L109 HydrophobicContact CG2-CG 4.17Å |
| 106 | R | 83.4 | Confident | 88.2 | Confident | 67 Ų | 67 | 45 Ų | 45 | 25% | 0.253 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -44.3 | -41.7 | -173.4 | -174.4 | -94.9 | 169.7 | 95.9 | -9 | 116 | L102 S108 L109 D143 | L102-R106 WeakPolarHBondContact O-CA 3.35Å; L102-R106 WeakPolarHBondContact O-CB 3.44Å; L102-R106 PolarHBondContact O-N 2.87Å; R106-S108 PolarHBondContact O-N 3.18Å; R106-S108 VanDerWaalsContact O-N 3.09Å; R106-L109 PolarHBondContact O-N 3.01Å; R106-D143 PolarHBondContact NH1-O 3.37Å; R106-D143 PolarHBondContact NH2-O 3.48Å |
| 107 | P | 81.8 | Confident | 88.2 | Confident | 126 Ų | 126 | 40.5 Ų | 40.5 | 82% | 0.818 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -61.7 | -16.7 | -179.7 | -23.9 | 34.9 | 0 | 0 | 0 | 115.2 | V105 | V105-P107 VanDerWaalsContact C-N 3.32Å; V105-P107 WeakPolarHBondContact O-CD 3.43Å |
| 108 | S | 81.4 | Confident | 87.9 | Confident | 72 Ų | 72 | 40.1 Ų | 40.1 | 50% | 0.503 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -105.9 | 5.2 | -179.8 | 61.1 | 0 | 0 | 0 | 0 | 114.1 | V105 R106 | V105-S108 PolarHBondContact O-N 3.21Å; V105-S108 PolarHBondContact O-OG 3.2Å; R106-S108 PolarHBondContact O-N 3.18Å; R106-S108 VanDerWaalsContact O-N 3.09Å |
| 109 | L | 86.6 | Confident | 87.5 | Confident | 18 Ų | 18 | 45.4 Ų | 45.4 | 9% | 0.094 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -92.7 | 140.6 | -177 | -62.5 | -179.9 | 0 | 0 | 0 | 112.3 | W60 L102 V105 R106 E111 L114 | W60-L109 HydrophobicContact CB-CD2 3.97Å; W60-L109 HydrophobicContact CD2-CD2 3.24Å; W60-L109 HydrophobicContact CE3-CD2 3.45Å; W60-L109 VanDerWaalsContact CE3-CD2 3.45Å; W60-L109 HydrophobicContact CG-CD2 3.49Å; W60-L109 VanDerWaalsContact CG-CD2 3.49Å; W60-L109 HydrophobicContact CH2-CD2 4.37Å; W60-L109 HydrophobicContact CZ2-CD2 4.2Å; W60-L109 HydrophobicContact CZ3-CD2 4.03Å; L102-L109 HydrophobicContact CB-CD1 3.92Å; L102-L109 HydrophobicContact CD2-CD1 3.63Å; L102-L109 HydrophobicContact CD2-CD2 3.89Å; L102-L109 HydrophobicContact CD2-CG 4.44Å; L102-L109 HydrophobicContact CG-CD1 4.35Å; L102-L109 WeakPolarHBondContact O-CD1 3.49Å; V105-L109 HydrophobicContact CG2-CD1 4.25Å; V105-L109 HydrophobicContact CG2-CD2 3.98Å; V105-L109 HydrophobicContact CG2-CG 4.17Å; R106-L109 PolarHBondContact O-N 3.01Å; L109-E111 PolarHBondContact O-N 3.3Å; L109-L114 HydrophobicContact CB-CD2 4.49Å; L109-L114 HydrophobicContact CD1-CD1 4.28Å; L109-L114 HydrophobicContact CD1-CD2 3.96Å |
| 110 | P | 88.6 | Confident | 87.3 | Confident | 44 Ų | 44 | 46.1 Ų | 46.1 | 29% | 0.286 | 27% | 0.274 | S | S | . | . | trans | -71.7 | 124.4 | 169.4 | 29.2 | -32 | 0 | 0 | 0 | 110.4 | W60 L64 S112 G113 L114 | W60-P110 HydrophobicContact CB-CG 4.42Å; L64-P110 HydrophobicContact CD1-CG 3.71Å; P110-S112 PolarHBondContact O-N 3.07Å; P110-G113 PolarHBondContact O-N 3.42Å; P110-L114 PolarHBondContact O-N 3.13Å; P110-L114 VanDerWaalsContact O-N 3.09Å | ||
| 111 | E | 86.4 | Confident | 86.9 | Confident | 122 Ų | 122 | 45.2 Ų | 45.2 | 57% | 0.57 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60.6 | -41.8 | -173.9 | -63.3 | -174.3 | 162.7 | 0 | 0 | 113 | L109 L114 L115 L144 | L109-E111 PolarHBondContact O-N 3.3Å; E111-L114 PolarHBondContact O-N 3.19Å; E111-L115 WeakPolarHBondContact O-CG 3.4Å; E111-L115 PolarHBondContact O-N 3.43Å; E111-L144 HydrophobicContact CB-CD2 4.41Å; E111-L144 HydrophobicContact CG-CD2 4.07Å |
| 112 | S | 85 | Confident | 86 | Confident | 92 Ų | 92 | 49.3 Ų | 49.3 | 64% | 0.643 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.1 | -45.2 | 179.8 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | P110 L115 S116 | P110-S112 PolarHBondContact O-N 3.07Å; S112-L115 PolarHBondContact O-N 2.89Å; S112-S116 PolarHBondContact O-N 3.28Å; S112-S116 PolarHBondContact O-OG 2.96Å |
| 113 | G | 86.6 | Confident | 85.1 | Confident | 14 Ų | 14 | 54 Ų | 54 | 14% | 0.144 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.7 | -38.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P110 S116 V117 | P110-G113 PolarHBondContact O-N 3.42Å; G113-S116 PolarHBondContact O-N 3.46Å; G113-V117 WeakPolarHBondContact O-CG2 3.43Å; G113-V117 PolarHBondContact O-N 3.06Å; G113-V117 VanDerWaalsContact O-N 3.1Å |
| 114 | L | 88.3 | Confident | 84.1 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66 | -40.5 | 177.4 | -177.8 | 57.7 | 0 | 0 | 0 | 111.6 | L102 L109 P110 E111 S116 V117 L118 L140 L144 | L102-L114 HydrophobicContact CB-CD1 4.43Å; L102-L114 HydrophobicContact CD1-CD1 3.95Å; L109-L114 HydrophobicContact CB-CD2 4.49Å; L109-L114 HydrophobicContact CD1-CD1 4.28Å; L109-L114 HydrophobicContact CD1-CD2 3.96Å; P110-L114 PolarHBondContact O-N 3.13Å; P110-L114 VanDerWaalsContact O-N 3.09Å; E111-L114 PolarHBondContact O-N 3.19Å; L114-S116 PolarHBondContact O-N 2.69Å; L114-V117 PolarHBondContact O-N 3.4Å; L114-L118 HydrophobicContact CD1-CD1 4.31Å; L114-L118 HydrophobicContact CD1-CG 4.32Å; L114-L118 HydrophobicContact CG-CD1 4.06Å; L114-L118 WeakPolarHBondContact O-CB 3.3Å; L114-L118 WeakPolarHBondContact O-CG 3.36Å; L114-L118 PolarHBondContact O-N 3.34Å; L114-L140 HydrophobicContact CD2-CD2 4.43Å; L114-L144 HydrophobicContact CD2-CD1 3.76Å; L114-L144 HydrophobicContact CD2-CD2 4.09Å; L114-L144 HydrophobicContact CD2-CG 4.26Å; L114-L144 HydrophobicContact CG-CD1 3.97Å |
| 115 | L | 86.7 | Confident | 82.5 | Confident | 53 Ų | 53 | 58.4 Ų | 58.4 | 28% | 0.277 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 175.1 | -72.2 | 171.3 | 0 | 0 | 0 | 112.2 | E111 S112 L118 Q119 L144 V146 | E111-L115 WeakPolarHBondContact O-CG 3.4Å; E111-L115 PolarHBondContact O-N 3.43Å; S112-L115 PolarHBondContact O-N 2.89Å; L115-L118 PolarHBondContact O-N 2.89Å; L115-Q119 WeakPolarHBondContact O-CB 3.5Å; L115-Q119 PolarHBondContact O-N 2.97Å; L115-L144 HydrophobicContact CD2-CD1 3.92Å; L115-L144 HydrophobicContact CG-CD1 4.37Å; L115-V146 HydrophobicContact CD1-CG2 4.19Å; L115-V146 HydrophobicContact CD2-CB 3.99Å; L115-V146 HydrophobicContact CD2-CG1 4.02Å; L115-V146 HydrophobicContact CD2-CG2 4.14Å |
| 116 | S | 88.3 | Confident | 81.2 | Confident | 51 Ų | 51 | 59.4 Ų | 59.4 | 36% | 0.357 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 176.5 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | C68 S112 G113 L114 L118 Q119 I120 | C68-S116 VanDerWaalsContact SG-CB 3.56Å; S112-S116 PolarHBondContact O-N 3.28Å; S112-S116 PolarHBondContact O-OG 2.96Å; G113-S116 PolarHBondContact O-N 3.46Å; L114-S116 PolarHBondContact O-N 2.69Å; S116-L118 VanDerWaalsContact C-N 3.34Å; S116-L118 PolarHBondContact O-N 3.08Å; S116-Q119 WeakPolarHBondContact O-CB 3.44Å; S116-Q119 PolarHBondContact O-N 2.89Å; S116-I120 WeakPolarHBondContact O-CG1 3.5Å; S116-I120 PolarHBondContact O-N 3.25Å |
| 117 | V | 89.8 | Confident | 79.8 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 175.4 | 165 | 0 | 0 | 0 | 0 | 111.4 | L64 L67 C68 L87 M99 L102 G113 L114 Q119 I120 A121 | L64-V117 HydrophobicContact CB-CG2 4.23Å; L64-V117 HydrophobicContact CD2-CB 4.38Å; L64-V117 HydrophobicContact CD2-CG2 3.67Å; L67-V117 HydrophobicContact CB-CG2 4.26Å; C68-V117 VanDerWaalsContact SG-CG2 3.54Å; L87-V117 HydrophobicContact CD2-CG1 3.89Å; L87-V117 WeakPolarHBondContact CD2-O 3.4Å; M99-V117 HydrophobicContact CE-CG1 3.75Å; L102-V117 HydrophobicContact CD1-CG1 4.3Å; G113-V117 WeakPolarHBondContact O-CG2 3.43Å; G113-V117 PolarHBondContact O-N 3.06Å; G113-V117 VanDerWaalsContact O-N 3.1Å; L114-V117 PolarHBondContact O-N 3.4Å; V117-Q119 VanDerWaalsContact C-N 3.3Å; V117-Q119 PolarHBondContact O-N 3.33Å; V117-I120 PolarHBondContact O-N 3.48Å; V117-A121 WeakPolarHBondContact O-CB 3.19Å; V117-A121 PolarHBondContact O-N 3.07Å |
| 118 | L | 87.3 | Confident | 79 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68.7 | -27.3 | 177.6 | -69.3 | 172.4 | 0 | 0 | 0 | 113.1 | M99 L114 L115 S116 Q122 L140 R141 L144 | M99-L118 HydrophobicContact SD-CD2 4.27Å; L114-L118 HydrophobicContact CD1-CD1 4.31Å; L114-L118 HydrophobicContact CD1-CG 4.32Å; L114-L118 HydrophobicContact CG-CD1 4.06Å; L114-L118 WeakPolarHBondContact O-CB 3.3Å; L114-L118 WeakPolarHBondContact O-CG 3.36Å; L114-L118 PolarHBondContact O-N 3.34Å; L115-L118 PolarHBondContact O-N 2.89Å; S116-L118 VanDerWaalsContact C-N 3.34Å; S116-L118 PolarHBondContact O-N 3.08Å; L118-Q122 WeakPolarHBondContact O-CG 3.26Å; L118-L140 HydrophobicContact CD1-CB 3.77Å; L118-L140 HydrophobicContact CD2-CB 3.86Å; L118-L140 HydrophobicContact CD2-CD1 3.81Å; L118-L140 HydrophobicContact CD2-CG 4.46Å; L118-L140 HydrophobicContact CG-CB 4.45Å; L118-R141 HydrophobicContact CB-CG 4.36Å; L118-R141 HydrophobicContact CD1-CG 3.72Å; L118-R141 PolarHBondContact O-NH2 3.44Å; L118-L144 HydrophobicContact CD1-CD1 3.86Å |
| 119 | Q | 86.4 | Confident | 78.3 | Confident | 111 Ų | 111 | 62.4 Ų | 62.4 | 52% | 0.519 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -71.7 | -47 | 174.3 | -170.2 | 178.6 | 0.8 | 0 | 0 | 110.3 | L115 S116 V117 Q122 Q123 | L115-Q119 WeakPolarHBondContact O-CB 3.5Å; L115-Q119 PolarHBondContact O-N 2.97Å; S116-Q119 WeakPolarHBondContact O-CB 3.44Å; S116-Q119 PolarHBondContact O-N 2.89Å; V117-Q119 VanDerWaalsContact C-N 3.3Å; V117-Q119 PolarHBondContact O-N 3.33Å; Q119-Q122 PolarHBondContact O-N 3.43Å; Q119-Q123 WeakPolarHBondContact O-CG 3.29Å; Q119-Q123 PolarHBondContact O-N 2.99Å |
| 120 | I | 86.6 | Confident | 78 | Confident | 17 Ų | 17 | 62.8 Ų | 62.8 | 9% | 0.087 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.1 | -43 | 179.2 | -67.7 | 169.8 | 0 | 0 | 0 | 111.5 | C68 P85 L87 L88 S116 V117 Q122 Q123 | C68-I120 VanDerWaalsContact CA-CD1 3.47Å; C68-I120 HydrophobicContact CB-CD1 3.54Å; P85-I120 HydrophobicContact CB-CD1 4.08Å; P85-I120 HydrophobicContact CB-CG2 3.6Å; P85-I120 HydrophobicContact CG-CD1 4.15Å; P85-I120 HydrophobicContact CG-CG1 4.35Å; P85-I120 HydrophobicContact CG-CG2 3.72Å; L87-I120 HydrophobicContact CB-CG2 4.28Å; L87-I120 HydrophobicContact CD2-CB 4.23Å; L87-I120 HydrophobicContact CD2-CG2 3.96Å; L88-I120 HydrophobicContact CD1-CG2 4.16Å; L88-I120 HydrophobicContact CD2-CG2 4.26Å; L88-I120 HydrophobicContact CG-CG2 3.89Å; S116-I120 WeakPolarHBondContact O-CG1 3.5Å; S116-I120 PolarHBondContact O-N 3.25Å; V117-I120 PolarHBondContact O-N 3.48Å; I120-Q122 PolarHBondContact O-N 3.35Å; I120-Q122 VanDerWaalsContact O-N 3.1Å; I120-Q123 WeakPolarHBondContact O-CB 3.49Å; I120-Q123 PolarHBondContact O-N 3.5Å |
| 121 | A | 82.8 | Confident | 77.5 | Confident | 19 Ų | 19 | 64 Ų | 64 | 16% | 0.157 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L87 M99 V117 | L87-A121 HydrophobicContact CD2-CB 4.07Å; M99-A121 HydrophobicContact CE-CB 3.77Å; V117-A121 WeakPolarHBondContact O-CB 3.19Å; V117-A121 PolarHBondContact O-N 3.07Å |
| 122 | Q | 74.8 | Confident | 77.2 | Confident | 88 Ų | 88 | 65.9 Ų | 65.9 | 41% | 0.411 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -15.2 | 176.6 | -69.8 | -175.8 | 2.4 | 0 | 0 | 113.7 | L118 Q119 I120 D124 | L118-Q122 WeakPolarHBondContact O-CG 3.26Å; Q119-Q122 PolarHBondContact O-N 3.43Å; I120-Q122 PolarHBondContact O-N 3.35Å; I120-Q122 VanDerWaalsContact O-N 3.1Å; Q122-D124 PolarHBondContact O-N 3.06Å |
| 123 | Q | 71.3 | Confident | 77 | Confident | 98 Ų | 98 | 62.1 Ų | 62.1 | 46% | 0.458 | 34% | 0.344 | S | S | . | . | trans | -79.8 | 4.3 | 176.9 | -73.6 | 171.2 | 2.4 | 0 | 0 | 112.7 | Q119 I120 L125 | Q119-Q123 WeakPolarHBondContact O-CG 3.29Å; Q119-Q123 PolarHBondContact O-N 2.99Å; I120-Q123 WeakPolarHBondContact O-CB 3.49Å; I120-Q123 PolarHBondContact O-N 3.5Å; Q123-L125 PolarHBondContact O-N 3.31Å | ||
| 124 | D | 66.2 | Low | 76.7 | Confident | 44 Ų | 44 | 66.3 Ų | 66.3 | 24% | 0.235 | 36% | 0.356 | C | S | . | . | trans | -60 | 104.9 | 175.6 | -167 | 3.6 | 0 | 0 | 0 | 109.8 | L88 Q122 A126 | L88-D124 HydrophobicContact CD2-CB 4.47Å; Q122-D124 PolarHBondContact O-N 3.06Å; D124-A126 PolarHBondContact O-N 2.95Å; D124-A126 WeakPolarHBondContact OD1-CB 3.3Å; D124-A126 PolarHBondContact OD1-N 2.93Å | ||
| 125 | L | 54.9 | Low | 76.3 | Confident | 174 Ų | 174 | 68.2 Ų | 68.2 | 91% | 0.911 | 37% | 0.372 | S | S | * | . | trans | -76 | 7.3 | 179.6 | -71.5 | 165 | 0 | 0 | 0 | 112 | Q123 | Q123-L125 PolarHBondContact O-N 3.31Š| ||
| 126 | A | 61.7 | Low | 76 | Confident | 35 Ų | 35 | 66.7 Ų | 66.7 | 29% | 0.289 | 36% | 0.363 | S | S | . | . | trans | -56.6 | 138.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | D124 D128 | D124-A126 PolarHBondContact O-N 2.95Å; D124-A126 WeakPolarHBondContact OD1-CB 3.3Å; D124-A126 PolarHBondContact OD1-N 2.93Å; A126-D128 PolarHBondContact O-N 3.33Å; A126-D128 VanDerWaalsContact O-N 3.09Å | ||
| 127 | P | 54.4 | Low | 75.8 | Confident | 142 Ų | 142 | 64.4 Ų | 64.4 | 92% | 0.922 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -63.1 | -17 | -178.9 | 22.8 | -31.7 | 0 | 0 | 0 | 113.7 | ||
| 128 | D | 64.3 | Low | 75.3 | Confident | 141 Ų | 141 | 69.3 Ų | 69.3 | 75% | 0.754 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -133.7 | 92.7 | 170.5 | -173.2 | 20.3 | 0 | 0 | 0 | 110 | A126 | A126-D128 PolarHBondContact O-N 3.33Å; A126-D128 VanDerWaalsContact O-N 3.09Å |
| 129 | P | 67.8 | Low | 75 | Confident | 45 Ų | 45 | 71.4 Ų | 71.4 | 29% | 0.292 | 38% | 0.382 | S | S | . | . | trans | -77.2 | 137.6 | -177.8 | 5.3 | 6.9 | 0 | 0 | 0 | 110.6 | A131 R134 | P129-A131 PolarHBondContact O-N 3.41Å; P129-A131 VanDerWaalsContact O-N 3.14Å; P129-R134 PolarHBondContact O-NH2 3.17Å | ||
| 130 | D | 79.2 | Confident | 74.8 | Confident | 26 Ų | 26 | 66.2 Ų | 66.2 | 14% | 0.139 | 36% | 0.358 | C | S | . | . | trans | -54.4 | 115.6 | -175.2 | -172.9 | -76.6 | 0 | 0 | 0 | 112.6 | R96 W132 L133 R134 | R96-D130 IonicContact CZ-OD2 3.91Å; R96-D130 IonicContact NE-OD1 3.72Å; R96-D130 PolarHBondContact NE-OD1 3.17Å; R96-D130 IonicContact NE-OD2 2.66Å; R96-D130 PolarHBondContact NE-OD2 2.92Å; R96-D130 IonicContact NH2-OD2 3.73Å; R96-D130 PolarHBondContact NH2-OD2 3.46Å; D130-W132 PolarHBondContact O-N 3.27Å; D130-W132 WeakPolarHBondContact OD1-CA 3.28Å; D130-W132 WeakPolarHBondContact OD1-CB 3.48Å; D130-W132 PolarHBondContact OD1-N 3.19Å; D130-L133 HydrophobicContact CB-CB 4.07Å; D130-L133 HydrophobicContact CB-CD1 3.9Å; D130-L133 HydrophobicContact CB-CG 4.05Å; D130-L133 PolarHBondContact O-N 3.13Å; D130-L133 PolarHBondContact OD1-N 3.5Å; D130-R134 PolarHBondContact O-N 3.12Å; D130-R134 VanDerWaalsContact O-N 3.08Å | ||
| 131 | A | 79.3 | Confident | 74.5 | Confident | 71 Ų | 71 | 68.6 Ų | 68.6 | 59% | 0.587 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.3 | -27.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P129 A135 | P129-A131 PolarHBondContact O-N 3.41Å; P129-A131 VanDerWaalsContact O-N 3.14Å; A131-A135 WeakPolarHBondContact O-CB 3.36Å; A131-A135 PolarHBondContact O-N 3.16Å; A131-A135 VanDerWaalsContact O-N 3.12Å |
| 132 | W | 78.5 | Confident | 74.1 | Confident | 161 Ų | 161 | 74.4 Ų | 74.4 | 61% | 0.61 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -77.5 | -43.4 | -178.9 | -157.2 | -99 | 0 | 0 | 0 | 111.4 | D130 R134 A135 L136 | D130-W132 PolarHBondContact O-N 3.27Å; D130-W132 WeakPolarHBondContact OD1-CA 3.28Å; D130-W132 WeakPolarHBondContact OD1-CB 3.48Å; D130-W132 PolarHBondContact OD1-N 3.19Å; W132-R134 VanDerWaalsContact C-N 3.31Å; W132-R134 PolarHBondContact O-N 2.9Å; W132-A135 PolarHBondContact O-N 2.8Å; W132-L136 WeakPolarHBondContact O-CB 3.24Å; W132-L136 WeakPolarHBondContact O-CG 3.46Å; W132-L136 PolarHBondContact O-N 3.14Å |
| 133 | L | 81.1 | Confident | 74 | Confident | 13 Ų | 13 | 73.1 Ų | 73.1 | 7% | 0.068 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 172.6 | -71.9 | 178.6 | 0 | 0 | 0 | 111.4 | Q92 Q95 R96 M99 D130 L136 G137 | Q92-L133 VanDerWaalsContact OE1-CD1 3.29Å; Q95-L133 HydrophobicContact CB-CD1 3.93Å; Q95-L133 HydrophobicContact CB-CD2 3.86Å; R96-L133 HydrophobicContact CB-CD2 4.39Å; R96-L133 HydrophobicContact CG-CD2 3.95Å; R96-L133 HydrophobicContact CG-CG 4.02Å; M99-L133 HydrophobicContact CB-CD2 4.47Å; M99-L133 HydrophobicContact CG-CD2 3.76Å; D130-L133 HydrophobicContact CB-CB 4.07Å; D130-L133 HydrophobicContact CB-CD1 3.9Å; D130-L133 HydrophobicContact CB-CG 4.05Å; D130-L133 PolarHBondContact O-N 3.13Å; D130-L133 PolarHBondContact OD1-N 3.5Å; L133-L136 PolarHBondContact O-N 3.04Å; L133-G137 PolarHBondContact O-N 3.16Å |
| 134 | R | 80.9 | Confident | 73.9 | Confident | 102 Ų | 102 | 69.3 Ų | 69.3 | 39% | 0.385 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.1 | -51 | 175 | -168.2 | -176.8 | -58 | 114.5 | 9.1 | 111.6 | P129 D130 W132 L136 G137 E138 | P129-R134 PolarHBondContact O-NH2 3.17Å; D130-R134 PolarHBondContact O-N 3.12Å; D130-R134 VanDerWaalsContact O-N 3.08Å; W132-R134 VanDerWaalsContact C-N 3.31Å; W132-R134 PolarHBondContact O-N 2.9Å; R134-L136 PolarHBondContact O-N 3.28Å; R134-G137 PolarHBondContact O-N 3.41Å; R134-E138 WeakPolarHBondContact O-CG 3.42Å; R134-E138 PolarHBondContact O-N 3.17Å |
| 135 | A | 80.3 | Confident | 73.8 | Confident | 41 Ų | 41 | 70.2 Ų | 70.2 | 34% | 0.339 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A131 W132 E138 L139 | A131-A135 WeakPolarHBondContact O-CB 3.36Å; A131-A135 PolarHBondContact O-N 3.16Å; A131-A135 VanDerWaalsContact O-N 3.12Å; W132-A135 PolarHBondContact O-N 2.8Å; A135-E138 PolarHBondContact O-N 3.4Å; A135-L139 WeakPolarHBondContact O-CG 3.24Å; A135-L139 PolarHBondContact O-N 3.03Å; A135-L139 VanDerWaalsContact O-N 3.07Å |
| 136 | L | 80.6 | Confident | 74 | Confident | 20 Ų | 20 | 65.9 Ų | 65.9 | 11% | 0.105 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.9 | -39 | 176.1 | -72 | 173.6 | 0 | 0 | 0 | 112 | M99 W132 L133 R134 L139 L140 | M99-L136 HydrophobicContact CB-CB 3.95Å; M99-L136 HydrophobicContact CB-CD1 3.8Å; W132-L136 WeakPolarHBondContact O-CB 3.24Å; W132-L136 WeakPolarHBondContact O-CG 3.46Å; W132-L136 PolarHBondContact O-N 3.14Å; L133-L136 PolarHBondContact O-N 3.04Å; R134-L136 PolarHBondContact O-N 3.28Å; L136-L139 PolarHBondContact O-N 3.33Å; L136-L140 WeakPolarHBondContact O-CG 3.28Å; L136-L140 PolarHBondContact O-N 3.21Å |
| 137 | G | 82.8 | Confident | 73.4 | Confident | 4 Ų | 4 | 67.2 Ų | 67.2 | 4% | 0.041 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L133 R134 L140 R141 | L133-G137 PolarHBondContact O-N 3.16Å; R134-G137 PolarHBondContact O-N 3.41Å; G137-L140 PolarHBondContact O-N 3.35Å; G137-R141 WeakPolarHBondContact O-CG 3.33Å; G137-R141 PolarHBondContact O-N 3.28Å |
| 138 | E | 80.9 | Confident | 73 | Confident | 103 Ų | 103 | 67 Ų | 67 | 48% | 0.481 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 174.5 | -75 | 175.6 | -172.8 | 0 | 0 | 112.3 | R134 A135 R141 R142 | R134-E138 WeakPolarHBondContact O-CG 3.42Å; R134-E138 PolarHBondContact O-N 3.17Å; A135-E138 PolarHBondContact O-N 3.4Å; E138-R141 PolarHBondContact O-N 2.9Å; E138-R142 WeakPolarHBondContact O-CB 3.34Å; E138-R142 PolarHBondContact O-N 3.11Å |
| 139 | L | 80.9 | Confident | 72 | Confident | 45 Ų | 45 | 64.6 Ų | 64.6 | 24% | 0.236 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59 | -49.3 | 174.5 | -79 | 167.8 | 0 | 0 | 0 | 111.7 | M103 A135 L136 R141 R142 D143 P155 | M103-L139 HydrophobicContact CE-CB 4.45Å; M103-L139 HydrophobicContact SD-CB 4.36Å; A135-L139 WeakPolarHBondContact O-CG 3.24Å; A135-L139 PolarHBondContact O-N 3.03Å; A135-L139 VanDerWaalsContact O-N 3.07Å; L136-L139 PolarHBondContact O-N 3.33Å; L139-R141 PolarHBondContact O-N 2.8Å; L139-R142 PolarHBondContact O-N 3.2Å; L139-D143 VanDerWaalsContact O-CG 3.25Å; L139-D143 PolarHBondContact O-N 2.55Å; L139-D143 VanDerWaalsContact O-N 3.09Å; L139-P155 HydrophobicContact CD2-CB 4.48Å; L139-P155 HydrophobicContact CD2-CG 3.61Å; L139-P155 HydrophobicContact CG-CG 4.32Å |
| 140 | L | 81.4 | Confident | 71 | Confident | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.005 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 177.3 | -80.3 | 165.5 | 0 | 0 | 0 | 112 | M99 L102 M103 L114 L118 L136 G137 D143 L144 | M99-L140 HydrophobicContact SD-CD1 4.1Å; L102-L140 HydrophobicContact CB-CD1 4.34Å; L102-L140 HydrophobicContact CB-CD2 4.49Å; M103-L140 HydrophobicContact CB-CD2 4.4Å; M103-L140 HydrophobicContact CG-CD1 4.23Å; M103-L140 HydrophobicContact CG-CD2 3.67Å; M103-L140 HydrophobicContact CG-CG 3.71Å; M103-L140 HydrophobicContact SD-CB 4.24Å; M103-L140 HydrophobicContact SD-CD1 4.46Å; M103-L140 HydrophobicContact SD-CD2 3.25Å; M103-L140 WeakPolarHBondContact SD-CD2 3.49Å; M103-L140 HydrophobicContact SD-CG 3.35Å; M103-L140 WeakPolarHBondContact SD-CG 3.5Å; L114-L140 HydrophobicContact CD2-CD2 4.43Å; L118-L140 HydrophobicContact CD1-CB 3.77Å; L118-L140 HydrophobicContact CD2-CB 3.86Å; L118-L140 HydrophobicContact CD2-CD1 3.81Å; L118-L140 HydrophobicContact CD2-CG 4.46Å; L118-L140 HydrophobicContact CG-CB 4.45Å; L136-L140 WeakPolarHBondContact O-CG 3.28Å; L136-L140 PolarHBondContact O-N 3.21Å; G137-L140 PolarHBondContact O-N 3.35Å; L140-D143 PolarHBondContact O-N 3.37Å; L140-L144 VanDerWaalsContact O-CG 3.31Å; L140-L144 WeakPolarHBondContact O-CG 3.46Å; L140-L144 PolarHBondContact O-N 2.85Å; L140-L144 VanDerWaalsContact O-N 3.14Å |
| 141 | R | 80.8 | Confident | 69.2 | Low | 67 Ų | 67 | 77.3 Ų | 77.3 | 25% | 0.253 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.2 | -44.8 | 178.6 | -75.3 | -170.7 | 179.3 | -176.1 | 6.4 | 113.2 | L118 G137 E138 L139 D143 L144 G145 | L118-R141 HydrophobicContact CB-CG 4.36Å; L118-R141 HydrophobicContact CD1-CG 3.72Å; L118-R141 PolarHBondContact O-NH2 3.44Å; G137-R141 WeakPolarHBondContact O-CG 3.33Å; G137-R141 PolarHBondContact O-N 3.28Å; E138-R141 PolarHBondContact O-N 2.9Å; L139-R141 PolarHBondContact O-N 2.8Å; R141-D143 VanDerWaalsContact C-N 3.25Å; R141-D143 PolarHBondContact O-N 3Å; R141-L144 WeakPolarHBondContact O-CB 3.38Å; R141-L144 PolarHBondContact O-N 3.48Å; R141-L144 VanDerWaalsContact O-N 3.13Å; R141-G145 PolarHBondContact O-N 3.45Å |
| 142 | R | 74.9 | Confident | 67.9 | Low | 142 Ų | 142 | 77.8 Ų | 77.8 | 54% | 0.536 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -57.5 | -45.9 | 177.8 | -174.7 | -165.9 | 69.7 | 168.8 | 0.3 | 110.1 | E138 L139 L144 G145 | E138-R142 WeakPolarHBondContact O-CB 3.34Å; E138-R142 PolarHBondContact O-N 3.11Å; L139-R142 PolarHBondContact O-N 3.2Å; R142-L144 PolarHBondContact O-N 2.81Å; R142-G145 PolarHBondContact O-N 2.9Å; R142-G145 VanDerWaalsContact O-N 3.1Å |
| 143 | D | 71.3 | Confident | 66.5 | Low | 60 Ų | 60 | 72.9 Ų | 72.9 | 32% | 0.321 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -72.5 | -21.5 | -176.4 | -59.3 | -15 | 0 | 0 | 0 | 111.2 | R106 L139 L140 R141 G145 | R106-D143 PolarHBondContact NH1-O 3.37Å; R106-D143 PolarHBondContact NH2-O 3.48Å; L139-D143 VanDerWaalsContact O-CG 3.25Å; L139-D143 PolarHBondContact O-N 2.55Å; L139-D143 VanDerWaalsContact O-N 3.09Å; L140-D143 PolarHBondContact O-N 3.37Å; R141-D143 VanDerWaalsContact C-N 3.25Å; R141-D143 PolarHBondContact O-N 3Å; D143-G145 VanDerWaalsContact C-N 3.3Å |
| 144 | L | 70.4 | Confident | 65.4 | Low | 19 Ų | 19 | 74.8 Ų | 74.8 | 10% | 0.099 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -9.8 | 170.4 | -74.1 | 166.2 | 0 | 0 | 0 | 114.2 | E111 L114 L115 L118 L140 R141 R142 V146 | E111-L144 HydrophobicContact CB-CD2 4.41Å; E111-L144 HydrophobicContact CG-CD2 4.07Å; L114-L144 HydrophobicContact CD2-CD1 3.76Å; L114-L144 HydrophobicContact CD2-CD2 4.09Å; L114-L144 HydrophobicContact CD2-CG 4.26Å; L114-L144 HydrophobicContact CG-CD1 3.97Å; L115-L144 HydrophobicContact CD2-CD1 3.92Å; L115-L144 HydrophobicContact CG-CD1 4.37Å; L118-L144 HydrophobicContact CD1-CD1 3.86Å; L140-L144 VanDerWaalsContact O-CG 3.31Å; L140-L144 WeakPolarHBondContact O-CG 3.46Å; L140-L144 PolarHBondContact O-N 2.85Å; L140-L144 VanDerWaalsContact O-N 3.14Å; R141-L144 WeakPolarHBondContact O-CB 3.38Å; R141-L144 PolarHBondContact O-N 3.48Å; R141-L144 VanDerWaalsContact O-N 3.13Å; R142-L144 PolarHBondContact O-N 2.81Å; L144-V146 HydrophobicContact CB-CG2 4.38Å; L144-V146 PolarHBondContact O-N 2.77Å |
| 145 | G | 64.4 | Low | 64.4 | Low | 63 Ų | 63 | 73.2 Ų | 73.2 | 65% | 0.649 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 6.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | R141 R142 D143 G147 | R141-G145 PolarHBondContact O-N 3.45Å; R142-G145 PolarHBondContact O-N 2.9Å; R142-G145 VanDerWaalsContact O-N 3.1Å; D143-G145 VanDerWaalsContact C-N 3.3Å; G145-G147 PolarHBondContact O-N 3.39Å |
| 146 | V | 57.6 | Low | 63.6 | Low | 82 Ų | 82 | 74.2 Ų | 74.2 | 50% | 0.497 | 45% | 0.449 | S | S | . | . | trans | -95.1 | 79.8 | 179.7 | -175.6 | 0 | 0 | 0 | 0 | 108.5 | L115 L144 | L115-V146 HydrophobicContact CD1-CG2 4.19Å; L115-V146 HydrophobicContact CD2-CB 3.99Å; L115-V146 HydrophobicContact CD2-CG1 4.02Å; L115-V146 HydrophobicContact CD2-CG2 4.14Å; L144-V146 HydrophobicContact CB-CG2 4.38Å; L144-V146 PolarHBondContact O-N 2.77Å | ||
| 147 | G | 50.4 | Low | 63.3 | Low | 63 Ų | 63 | 76.7 Ų | 76.7 | 65% | 0.649 | 47% | 0.468 | S | S | * | . | S | Bend | trans | 170.1 | 136.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | G145 S149 | G145-G147 PolarHBondContact O-N 3.39Å; G147-S149 PolarHBondContact O-N 3.31Å |
| 148 | T | 44.3 | Very low | 63 | Low | 139 Ų | 139 | 84.7 Ų | 84.7 | 85% | 0.853 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -48 | 133.4 | 177.5 | 35 | 0 | 0 | 0 | 0 | 110.9 | M150 | T148-M150 PolarHBondContact O-N 3.47Š|
| 149 | S | 44.3 | Very low | 62.8 | Low | 90 Ų | 90 | 86.4 Ų | 86.4 | 63% | 0.629 | 51% | 0.508 | S | S | * | . | trans | -39.3 | 97.3 | 178.4 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | G147 E151 | G147-S149 PolarHBondContact O-N 3.31Å; S149-E151 WeakPolarHBondContact OG-CG 3.49Å; S149-E151 PolarHBondContact OG-N 3.35Å; S149-E151 PolarHBondContact OG-OE2 3.12Å | ||
| 150 | M | 45.9 | Very low | 62.5 | Low | 155 Ų | 155 | 86.3 Ų | 86.3 | 76% | 0.764 | 51% | 0.51 | S | S | * | . | trans | -96.2 | 66.5 | 151.4 | -81.8 | -138.6 | -91.5 | 0 | 0 | 106.5 | T148 G152 A153 | T148-M150 PolarHBondContact O-N 3.47Å; M150-G152 PolarHBondContact O-N 2.94Å; M150-A153 HydrophobicContact SD-CB 4.07Å | ||
| 151 | E | 42.6 | Very low | 62.3 | Low | 182 Ų | 182 | 89 Ų | 89 | 85% | 0.85 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | 108 | 158.3 | -97.8 | 168.4 | 134.8 | 0 | 0 | 108.6 | S149 | S149-E151 WeakPolarHBondContact OG-CG 3.49Å; S149-E151 PolarHBondContact OG-N 3.35Å; S149-E151 PolarHBondContact OG-OE2 3.12Å |
| 152 | G | 50.8 | Low | 62.3 | Low | 81 Ų | 81 | 93.9 Ų | 93.9 | 84% | 0.835 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.1 | -5.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | M150 S154 | M150-G152 PolarHBondContact O-N 2.94Å; G152-S154 PolarHBondContact O-N 3.48Å |
| 153 | A | 50.9 | Low | 62.6 | Low | 59 Ų | 59 | 91.8 Ų | 91.8 | 49% | 0.488 | 54% | 0.538 | S | S | . | . | trans | -85.2 | 92.7 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | M150 | M150-A153 HydrophobicContact SD-CB 4.07Š| ||
| 154 | S | 57 | Low | 62.9 | Low | 52 Ų | 52 | 93 Ų | 93 | 36% | 0.364 | 54% | 0.543 | S | S | . | . | trans | -59.9 | 133.9 | 170.5 | 162 | 0 | 0 | 0 | 0 | 109.8 | G152 L156 Q161 | G152-S154 PolarHBondContact O-N 3.48Å; S154-L156 PolarHBondContact O-N 2.91Å; S154-L156 VanDerWaalsContact O-N 3.11Å; S154-L156 PolarHBondContact OG-N 2.87Å; S154-Q161 PolarHBondContact OG-NE2 3.4Å; S154-Q161 VanDerWaalsContact OG-NE2 3.08Å | ||
| 155 | P | 59.1 | Low | 63.3 | Low | 69 Ų | 69 | 97.1 Ų | 97.1 | 45% | 0.448 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -67.1 | -12.8 | -177.6 | 26.6 | -33 | 0 | 0 | 0 | 112.4 | L139 | L139-P155 HydrophobicContact CD2-CB 4.48Å; L139-P155 HydrophobicContact CD2-CG 3.61Å; L139-P155 HydrophobicContact CG-CG 4.32Å |
| 156 | L | 63.9 | Low | 64.1 | Low | 62 Ų | 62 | 97.6 Ų | 97.6 | 33% | 0.325 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -83.1 | 130.4 | 173.7 | -60 | 177.3 | 0 | 0 | 0 | 109.1 | S154 C160 Q161 L164 | S154-L156 PolarHBondContact O-N 2.91Å; S154-L156 VanDerWaalsContact O-N 3.11Å; S154-L156 PolarHBondContact OG-N 2.87Å; L156-C160 HydrophobicContact CB-CB 4.21Å; L156-Q161 HydrophobicContact CB-CG 3.58Å; L156-Q161 HydrophobicContact CD1-CG 4.44Å; L156-Q161 PolarHBondContact O-NE2 3.49Å; L156-L164 HydrophobicContact CD1-CD2 4.01Å |
| 157 | S | 74.3 | Confident | 65 | Low | 73 Ų | 73 | 97.4 Ų | 97.4 | 51% | 0.51 | 55% | 0.551 | S | S | . | * | trans | -54.7 | 152.4 | 169.2 | 72.8 | 0 | 0 | 0 | 0 | 110.6 | K159 C160 Q161 | S157-K159 PolarHBondContact O-N 2.84Å; S157-C160 WeakPolarHBondContact O-CA 3.49Å; S157-C160 PolarHBondContact O-N 2.82Å; S157-C160 WeakPolarHBondContact OG-CB 3.49Å; S157-C160 PolarHBondContact OG-N 2.78Å; S157-C160 VanDerWaalsContact OG-N 3.13Å; S157-Q161 WeakPolarHBondContact O-CG 3.47Å; S157-Q161 PolarHBondContact O-N 2.88Å | ||
| 158 | K | 77.6 | Confident | 66.2 | Low | 171 Ų | 171 | 97.7 Ų | 97.7 | 74% | 0.743 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -53.8 | -26 | 175.7 | -67.7 | -177 | 179.7 | 178.8 | 0 | 113 | R162 | K158-R162 WeakPolarHBondContact O-CG 3.3Å; K158-R162 PolarHBondContact O-N 3.23Å; K158-R162 PolarHBondContact O-NE 2.82Å; K158-R162 VanDerWaalsContact O-NE 3.1Å |
| 159 | K | 76.8 | Confident | 67.6 | Low | 140 Ų | 140 | 101.5 Ų | 101.5 | 61% | 0.609 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -72.3 | -49.1 | 173.2 | -174.7 | -180 | 179 | -178.2 | 0 | 111 | S157 Q161 R162 Q163 | S157-K159 PolarHBondContact O-N 2.84Å; K159-Q161 PolarHBondContact O-N 2.64Å; K159-R162 PolarHBondContact O-N 3.33Å; K159-Q163 WeakPolarHBondContact O-CG 3.45Å; K159-Q163 PolarHBondContact O-N 2.98Å |
| 160 | C | 73.3 | Confident | 68.6 | Low | 43 Ų | 43 | 99.2 Ų | 99.2 | 29% | 0.291 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.3 | -38 | 179.7 | -160.6 | 0 | 0 | 0 | 0 | 111.8 | L156 S157 R162 Q163 L164 | L156-C160 HydrophobicContact CB-CB 4.21Å; S157-C160 WeakPolarHBondContact O-CA 3.49Å; S157-C160 PolarHBondContact O-N 2.82Å; S157-C160 WeakPolarHBondContact OG-CB 3.49Å; S157-C160 PolarHBondContact OG-N 2.78Å; S157-C160 VanDerWaalsContact OG-N 3.13Å; C160-R162 PolarHBondContact O-N 3.16Å; C160-Q163 PolarHBondContact O-N 3.33Å; C160-L164 VanDerWaalsContact O-CB 3.31Å; C160-L164 WeakPolarHBondContact O-CB 3.35Å; C160-L164 PolarHBondContact O-N 3.3Å |
| 161 | Q | 78.1 | Confident | 69.2 | Low | 58 Ų | 58 | 94.5 Ų | 94.5 | 27% | 0.271 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 172.5 | -68.1 | 175.9 | 21.4 | 0 | 0 | 112.3 | S154 L156 S157 K159 L164 Q165 | S154-Q161 PolarHBondContact OG-NE2 3.4Å; S154-Q161 VanDerWaalsContact OG-NE2 3.08Å; L156-Q161 HydrophobicContact CB-CG 3.58Å; L156-Q161 HydrophobicContact CD1-CG 4.44Å; L156-Q161 PolarHBondContact O-NE2 3.49Å; S157-Q161 WeakPolarHBondContact O-CG 3.47Å; S157-Q161 PolarHBondContact O-N 2.88Å; K159-Q161 PolarHBondContact O-N 2.64Å; Q161-L164 PolarHBondContact O-N 3.3Å; Q161-Q165 VanDerWaalsContact O-CB 3.3Å; Q161-Q165 WeakPolarHBondContact O-CB 3.42Å; Q161-Q165 WeakPolarHBondContact O-CG 3.31Å; Q161-Q165 PolarHBondContact O-N 3.46Å |
| 162 | R | 81.4 | Confident | 69.8 | Low | 169 Ų | 169 | 87.7 Ų | 87.7 | 64% | 0.638 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64 | -42.1 | 177.1 | -76.8 | -176.7 | -72.9 | 155.9 | -7.3 | 111.6 | K158 K159 C160 Q165 S166 | K158-R162 WeakPolarHBondContact O-CG 3.3Å; K158-R162 PolarHBondContact O-N 3.23Å; K158-R162 PolarHBondContact O-NE 2.82Å; K158-R162 VanDerWaalsContact O-NE 3.1Å; K159-R162 PolarHBondContact O-N 3.33Å; C160-R162 PolarHBondContact O-N 3.16Å; R162-Q165 PolarHBondContact O-N 3.01Å; R162-S166 WeakPolarHBondContact O-CB 3.21Å; R162-S166 PolarHBondContact O-N 3.46Å; R162-S166 PolarHBondContact O-OG 2.97Å |
| 163 | Q | 80.4 | Confident | 69.5 | Low | 98 Ų | 98 | 91 Ų | 91 | 46% | 0.458 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -47.2 | 174.8 | -73.5 | 175.5 | -43.1 | 0 | 0 | 111.4 | K159 C160 Q165 S166 L167 | K159-Q163 WeakPolarHBondContact O-CG 3.45Å; K159-Q163 PolarHBondContact O-N 2.98Å; C160-Q163 PolarHBondContact O-N 3.33Å; Q163-Q165 PolarHBondContact O-N 3.46Å; Q163-S166 WeakPolarHBondContact CA-OG 3.46Å; Q163-S166 PolarHBondContact O-N 3.27Å; Q163-S166 VanDerWaalsContact O-N 3.16Å; Q163-S166 PolarHBondContact O-OG 3.28Å; Q163-L167 WeakPolarHBondContact O-CB 3.34Å; Q163-L167 VanDerWaalsContact O-CG 3.3Å; Q163-L167 WeakPolarHBondContact O-CG 3.3Å; Q163-L167 PolarHBondContact O-N 3.27Å |
| 164 | L | 76.9 | Confident | 69.7 | Low | 84 Ų | 84 | 91.5 Ų | 91.5 | 44% | 0.44 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 177.6 | -159 | 91.5 | 0 | 0 | 0 | 111.1 | L156 C160 Q161 S166 L167 C168 | L156-L164 HydrophobicContact CD1-CD2 4.01Å; C160-L164 VanDerWaalsContact O-CB 3.31Å; C160-L164 WeakPolarHBondContact O-CB 3.35Å; C160-L164 PolarHBondContact O-N 3.3Å; Q161-L164 PolarHBondContact O-N 3.3Å; L164-S166 VanDerWaalsContact C-N 3.3Å; L164-S166 PolarHBondContact O-N 3.01Å; L164-L167 PolarHBondContact O-N 3.41Å; L164-C168 VanDerWaalsContact O-CB 3.25Å; L164-C168 WeakPolarHBondContact O-CB 3.5Å; L164-C168 PolarHBondContact O-N 3.03Å; L164-C168 PolarHBondContact O-SG 3.14Å |
| 165 | Q | 80.1 | Confident | 69.3 | Low | 106 Ų | 106 | 91.4 Ų | 91.4 | 50% | 0.495 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -39 | 174.2 | -75.1 | 172.4 | 8.2 | 0 | 0 | 111.8 | Q161 R162 Q163 R169 | Q161-Q165 VanDerWaalsContact O-CB 3.3Å; Q161-Q165 WeakPolarHBondContact O-CB 3.42Å; Q161-Q165 WeakPolarHBondContact O-CG 3.31Å; Q161-Q165 PolarHBondContact O-N 3.46Å; R162-Q165 PolarHBondContact O-N 3.01Å; Q163-Q165 PolarHBondContact O-N 3.46Å; Q165-R169 WeakPolarHBondContact O-CB 3.37Å; Q165-R169 VanDerWaalsContact O-CG 3.24Å; Q165-R169 WeakPolarHBondContact O-CG 3.43Å; Q165-R169 PolarHBondContact O-N 3.24Å |
| 166 | S | 79.5 | Confident | 68.8 | Low | 73 Ų | 73 | 98.4 Ų | 98.4 | 51% | 0.51 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.8 | -41 | 175 | 73.6 | 0 | 0 | 0 | 0 | 112.2 | R162 Q163 L164 R169 G170 | R162-S166 WeakPolarHBondContact O-CB 3.21Å; R162-S166 PolarHBondContact O-N 3.46Å; R162-S166 PolarHBondContact O-OG 2.97Å; Q163-S166 WeakPolarHBondContact CA-OG 3.46Å; Q163-S166 PolarHBondContact O-N 3.27Å; Q163-S166 VanDerWaalsContact O-N 3.16Å; Q163-S166 PolarHBondContact O-OG 3.28Å; L164-S166 VanDerWaalsContact C-N 3.3Å; L164-S166 PolarHBondContact O-N 3.01Å; S166-R169 PolarHBondContact O-N 3.36Å; S166-G170 PolarHBondContact O-N 3Å |
| 167 | L | 78.4 | Confident | 67.8 | Low | 78 Ų | 78 | 104.5 Ų | 104.5 | 41% | 0.408 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.4 | -45.7 | 175 | -71 | 165.5 | 0 | 0 | 0 | 110.8 | Q163 L164 R169 G170 L171 L178 | Q163-L167 WeakPolarHBondContact O-CB 3.34Å; Q163-L167 VanDerWaalsContact O-CG 3.3Å; Q163-L167 WeakPolarHBondContact O-CG 3.3Å; Q163-L167 PolarHBondContact O-N 3.27Å; L164-L167 PolarHBondContact O-N 3.41Å; L167-R169 VanDerWaalsContact C-N 3.3Å; L167-R169 PolarHBondContact O-N 3.38Å; L167-G170 CarbonylContact O-C 3.5Å; L167-G170 WeakPolarHBondContact O-CA 3.42Å; L167-G170 PolarHBondContact O-N 2.8Å; L167-L171 WeakPolarHBondContact O-CB 3.34Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.23Å; L167-L171 PolarHBondContact O-N 2.77Å; L167-L178 HydrophobicContact CB-CD2 4.4Å; L167-L178 HydrophobicContact CD2-CD2 3.55Å |
| 168 | C | 73.6 | Confident | 66.2 | Low | 70 Ų | 70 | 106.6 Ų | 106.6 | 47% | 0.473 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.6 | -31 | 175.6 | -69.7 | 0 | 0 | 0 | 0 | 112.5 | L164 L171 | L164-C168 VanDerWaalsContact O-CB 3.25Å; L164-C168 WeakPolarHBondContact O-CB 3.5Å; L164-C168 PolarHBondContact O-N 3.03Å; L164-C168 PolarHBondContact O-SG 3.14Å; C168-L171 CarbonylContact O-C 3.53Å; C168-L171 PolarHBondContact O-N 2.84Å |
| 169 | R | 74.8 | Confident | 64.5 | Low | 218 Ų | 218 | 107.4 Ų | 107.4 | 82% | 0.823 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -71.4 | -33.1 | 170.1 | -76.4 | 177.1 | -170.4 | -145.5 | 4.3 | 111.9 | Q165 S166 L167 L171 | Q165-R169 WeakPolarHBondContact O-CB 3.37Å; Q165-R169 VanDerWaalsContact O-CG 3.24Å; Q165-R169 WeakPolarHBondContact O-CG 3.43Å; Q165-R169 PolarHBondContact O-N 3.24Å; S166-R169 PolarHBondContact O-N 3.36Å; L167-R169 VanDerWaalsContact C-N 3.3Å; L167-R169 PolarHBondContact O-N 3.38Å; R169-L171 VanDerWaalsContact C-N 3.35Å |
| 170 | G | 64.9 | Low | 62.5 | Low | 43 Ų | 43 | 105.6 Ų | 105.6 | 44% | 0.443 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -71 | -30.5 | 172 | 0 | 0 | 0 | 0 | 0 | 113.2 | S166 L167 G172 R177 | S166-G170 PolarHBondContact O-N 3Å; L167-G170 CarbonylContact O-C 3.5Å; L167-G170 WeakPolarHBondContact O-CA 3.42Å; L167-G170 PolarHBondContact O-N 2.8Å; G170-G172 PolarHBondContact O-N 3Å; G170-R177 CarbonylContact C-O 3.55Å |
| 171 | L | 58.7 | Low | 60.8 | Low | 55 Ų | 55 | 109.2 Ų | 109.2 | 29% | 0.288 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -81.5 | 94.1 | 172.3 | -65.8 | 164.5 | 0 | 0 | 0 | 109 | L167 C168 R169 L178 | L167-L171 WeakPolarHBondContact O-CB 3.34Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.23Å; L167-L171 PolarHBondContact O-N 2.77Å; C168-L171 CarbonylContact O-C 3.53Å; C168-L171 PolarHBondContact O-N 2.84Å; R169-L171 VanDerWaalsContact C-N 3.35Å; L171-L178 HydrophobicContact CD1-CD2 4.46Å; L171-L178 HydrophobicContact CD2-CD2 4.11Å; L171-L178 HydrophobicContact CD2-CG 3.96Å; L171-L178 HydrophobicContact CG-CD2 4.06Å; L171-L178 HydrophobicContact CG-CG 4.46Å |
| 172 | G | 54.3 | Low | 58.6 | Low | 40 Ų | 40 | 115.3 Ų | 115.3 | 41% | 0.412 | 62% | 0.615 | S | S | . | * | trans | -50.9 | 160.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G170 G174 G175 | G170-G172 PolarHBondContact O-N 3Å; G172-G174 PolarHBondContact O-N 3.28Å; G172-G175 PolarHBondContact O-N 2.87Å | ||
| 173 | P | 46 | Very low | 56.1 | Low | 151 Ų | 151 | 112.5 Ų | 112.5 | 98% | 0.981 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | 101.9 | 179.8 | 24.1 | -32.2 | 0 | 0 | 0 | 109.1 | ||
| 174 | G | 55.3 | Low | 53.8 | Low | 68 Ų | 68 | 113.8 Ų | 113.8 | 70% | 0.701 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 128.9 | -2.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | G172 R176 | G172-G174 PolarHBondContact O-N 3.28Å; G174-R176 PolarHBondContact O-N 3.26Å; G174-R176 VanDerWaalsContact O-N 3.16Å |
| 175 | G | 47.1 | Very low | 51.4 | Low | 51 Ų | 51 | 117.5 Ų | 117.5 | 53% | 0.526 | 66% | 0.658 | S | S | . | * | S | Bend | trans | 63.5 | 26.4 | 160 | 0 | 0 | 0 | 0 | 0 | 117 | G172 | G172-G175 PolarHBondContact O-N 2.87Š|
| 176 | R | 49.2 | Very low | 49.3 | Very low | 215 Ų | 215 | 117.2 Ų | 117.2 | 81% | 0.811 | 67% | 0.665 | S | S | * | * | trans | -115.8 | 15.2 | -172.9 | -80.1 | -170.2 | -162.4 | -106.5 | 5.5 | 116.8 | G174 | G174-R176 PolarHBondContact O-N 3.26Å; G174-R176 VanDerWaalsContact O-N 3.16Å | ||
| 177 | R | 43.8 | Very low | 46.8 | Very low | 190 Ų | 190 | 122.6 Ų | 122.6 | 72% | 0.717 | 68% | 0.682 | S | S | * | * | trans | -148.1 | 112.9 | 172.4 | -63.7 | -173.1 | -166.2 | -97.9 | 2.4 | 110.9 | G170 | G170-R177 CarbonylContact C-O 3.55Š| ||
| 178 | L | 39.3 | Very low | 44.6 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 62% | 0.618 | 71% | 0.707 | S | S | * | * | trans | -97.1 | 105.1 | 155.4 | -76.9 | 167.6 | 0 | 0 | 0 | 106.1 | L167 L171 | L167-L178 HydrophobicContact CB-CD2 4.4Å; L167-L178 HydrophobicContact CD2-CD2 3.55Å; L171-L178 HydrophobicContact CD1-CD2 4.46Å; L171-L178 HydrophobicContact CD2-CD2 4.11Å; L171-L178 HydrophobicContact CD2-CG 3.96Å; L171-L178 HydrophobicContact CG-CD2 4.06Å; L171-L178 HydrophobicContact CG-CG 4.46Å | ||
| 179 | K | 42.9 | Very low | 42.5 | Very low | 188 Ų | 188 | 133.5 Ų | 133.5 | 82% | 0.817 | 73% | 0.725 | S | S | * | * | trans | -76.9 | 121 | 159.5 | -69.7 | -174.1 | 177.8 | -176.2 | 0 | 106 | ||||
| 180 | S | 34.2 | Very low | 40.3 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | trans | -56.1 | 133.7 | 174.1 | -172.7 | 0 | 0 | 0 | 0 | 109.3 | Q182 | S180-Q182 PolarHBondContact O-N 2.91Å; S180-Q182 VanDerWaalsContact O-N 3.07Å | ||
| 181 | P | 37 | Very low | 38.5 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | trans | -73.3 | 103.2 | 176.6 | 28.4 | -29.5 | 0 | 0 | 0 | 109.1 | ||||
| 182 | Q | 33.4 | Very low | 37.1 | Very low | 187 Ų | 187 | 142.5 Ų | 142.5 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 142 | 156.2 | -83 | 177.6 | -34.7 | 0 | 0 | 108.8 | S180 | S180-Q182 PolarHBondContact O-N 2.91Å; S180-Q182 VanDerWaalsContact O-N 3.07Å |
| 183 | S | 29.1 | Very low | 35.7 | Very low | 110 Ų | 110 | 147.4 Ų | 147.4 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 145.9 | -177.2 | 44.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 184 | P | 32 | Very low | 35 | Very low | 125 Ų | 125 | 145.6 Ų | 145.6 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 122.9 | 178.2 | 30.7 | -28.9 | 0 | 0 | 0 | 110.3 | ||
| 185 | D | 26.3 | Very low | 33.7 | Very low | 161 Ų | 161 | 151.6 Ų | 151.6 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 145.4 | 150.4 | -106.2 | -25.4 | 0 | 0 | 0 | 108.9 | ||
| 186 | P | 34.9 | Very low | 32.6 | Very low | 100 Ų | 100 | 157.9 Ų | 157.9 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 162.4 | -166.3 | 38.8 | -34.1 | 0 | 0 | 0 | 112.3 | ||
| 187 | E | 28.6 | Very low | 32.1 | Very low | 186 Ų | 186 | 153.4 Ų | 153.4 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | 86.8 | 98.8 | 163.2 | -48.7 | -171.6 | 172.1 | 0 | 0 | 116.6 | ||||
| 188 | E | 30.2 | Very low | 31.2 | Very low | 198 Ų | 198 | 148.2 Ų | 148.2 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | -153 | 120.1 | 114 | -104.7 | -178.8 | -168.2 | 0 | 0 | 109.6 | |||||
| 189 | E | 30.2 | Very low | 30.7 | Very low | 180 Ų | 180 | 152.2 Ų | 152.2 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | trans | -72.9 | 150.2 | 174.8 | -84.5 | 178.2 | 143.8 | 0 | 0 | 112 | ||||
| 190 | D | 29 | Very low | 30 | Very low | 135 Ų | 135 | 155.3 Ų | 155.3 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | trans | 50.7 | 110.7 | 148.5 | -78.4 | -18.7 | 0 | 0 | 0 | 119.7 | ||||
| 191 | N | 27 | Very low | 29.6 | Very low | 169 Ų | 169 | 160.3 Ų | 160.3 | 90% | 0.904 | 82% | 0.824 | S | S | * | * | -148.9 | 122.6 | 106.9 | -136.5 | -13.5 | 0 | 0 | 0 | 112.4 | |||||
| 192 | R | 30.1 | Very low | 29.2 | Very low | 200 Ų | 200 | 164.5 Ų | 164.5 | 76% | 0.755 | 83% | 0.83 | S | S | * | * | trans | -77.6 | 164.5 | 168.3 | -91.1 | -178.9 | -178 | -121.3 | 1.2 | 110.4 | ||||
| 193 | D | 24.8 | Very low | 28.7 | Very low | 143 Ų | 143 | 162.3 Ų | 162.3 | 77% | 0.765 | 82% | 0.82 | S | S | * | * | trans | 90.8 | 106.3 | 158.1 | -57.9 | -25.7 | 0 | 0 | 0 | 117 | ||||
| 194 | S | 30.6 | Very low | 28.5 | Very low | 114 Ų | 114 | 162.1 Ų | 162.1 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | -177.7 | 101.5 | 110.9 | -74.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 195 | Q | 27.7 | Very low | 28.2 | Very low | 193 Ų | 193 | 164.8 Ų | 164.8 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | trans | 34.6 | 118 | 133.3 | -59.6 | -176.5 | -16.8 | 0 | 0 | 121.1 | ||||
| 196 | Q | 24.6 | Very low | 28.1 | Very low | 183 Ų | 183 | 165.2 Ų | 165.2 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | trans | -65.1 | -178.1 | 144.4 | -77.2 | -173.9 | -21 | 0 | 0 | 111.2 | ||||
| 197 | P | 38.3 | Very low | 27.6 | Very low | 121 Ų | 121 | 169.7 Ų | 169.7 | 79% | 0.786 | 83% | 0.829 | S | S | * | * | cis | -136.5 | 177.5 | -11.2 | 19.2 | 6.8 | 0 | 0 | 0 | 114 | ||||
| 198 | G | 25.6 | Very low | 27.4 | Very low | 81 Ų | 81 | 165.3 Ų | 165.3 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | trans | -153.1 | 100.1 | 167 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 199 | K | 28.5 | Very low | 27 | Very low | 202 Ų | 202 | 160.7 Ų | 160.7 | 88% | 0.878 | 82% | 0.821 | S | S | * | * | trans | -64.1 | 146.7 | 175.3 | -68.2 | 168.3 | 173 | 174 | 0 | 112.7 | ||||
| 200 | R | 27.3 | Very low | 26.7 | Very low | 253 Ų | 253 | 157.3 Ų | 157.3 | 96% | 0.955 | 82% | 0.817 | S | S | * | * | -165.3 | 123.1 | 127.2 | -111.2 | 172.6 | -176.8 | -178 | 1.2 | 113.5 | |||||
| 201 | R | 26.9 | Very low | 27 | Very low | 208 Ų | 208 | 156.4 Ų | 156.4 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -69.9 | 149 | 164.8 | -98.3 | 174 | 150.4 | 165.9 | -8.3 | 111.1 | E203 | R201-E203 IonicContact CZ-OE1 3.48Å; R201-E203 IonicContact NE-OE1 2.69Å; R201-E203 PolarHBondContact NE-OE1 3.37Å; R201-E203 IonicContact NH2-OE1 3.17Å; R201-E203 PolarHBondContact NH2-OE1 3.08Å | ||
| 202 | K | 27.6 | Very low | 26.8 | Very low | 205 Ų | 205 | 156.3 Ų | 156.3 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | -151.3 | 121 | 138.2 | -163.5 | 163.3 | -178 | 178.4 | 0 | 110.3 | ||||
| 203 | E | 22.6 | Very low | 26.6 | Very low | 142 Ų | 142 | 150.1 Ų | 150.1 | 66% | 0.664 | 81% | 0.811 | S | S | * | * | trans | -98.9 | 152.6 | 174.6 | -75.3 | 160.3 | -171.8 | 0 | 0 | 110.1 | R201 | R201-E203 IonicContact CZ-OE1 3.48Å; R201-E203 IonicContact NE-OE1 2.69Å; R201-E203 PolarHBondContact NE-OE1 3.37Å; R201-E203 IonicContact NH2-OE1 3.17Å; R201-E203 PolarHBondContact NH2-OE1 3.08Å | ||
| 204 | S | 25.2 | Very low | 26.6 | Very low | 105 Ų | 105 | 152.1 Ų | 152.1 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | trans | 172.7 | 103.8 | 149.2 | 47.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 205 | E | 25.4 | Very low | 26.5 | Very low | 181 Ų | 181 | 158.1 Ų | 158.1 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | 54.2 | 136.3 | 85.1 | -76.7 | -175.6 | 162.4 | 0 | 0 | 113.5 | |||||
| 206 | E | 24.8 | Very low | 26.4 | Very low | 170 Ų | 170 | 155.3 Ų | 155.3 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | cis | -159.1 | 155.8 | -9.4 | -92.1 | -176.5 | 145.4 | 0 | 0 | 103.4 | ||||
| 207 | E | 23.8 | Very low | 26.6 | Very low | 195 Ų | 195 | 152.3 Ų | 152.3 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | 175.6 | 165.3 | 88.4 | -131.4 | -175.1 | 171.2 | 0 | 0 | 111.3 | |||||
| 208 | A | 24.4 | Very low | 26.1 | Very low | 94 Ų | 94 | 155.5 Ų | 155.5 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | trans | -77.4 | 159 | -158.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 209 | A | 23.5 | Very low | 26.1 | Very low | 101 Ų | 101 | 163.5 Ų | 163.5 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | 163.3 | 123.3 | 117 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 210 | S | 24.1 | Very low | 25.9 | Very low | 109 Ų | 109 | 163.5 Ų | 163.5 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | trans | -77.6 | 157.6 | 160.3 | -155 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 211 | P | 34.7 | Very low | 25.7 | Very low | 116 Ų | 116 | 162.3 Ų | 162.3 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | -145.4 | 143.6 | 68.4 | 31.4 | -8.4 | 0 | 0 | 0 | 117.3 | |||||
| 212 | E | 23 | Very low | 25.4 | Very low | 166 Ų | 166 | 157.1 Ų | 157.1 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | 45.7 | 116.7 | 123.9 | -146.7 | 159.6 | -159.7 | 0 | 0 | 120.6 | |||||
| 213 | G | 24.9 | Very low | 25.5 | Very low | 70 Ų | 70 | 158.4 Ų | 158.4 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -160.1 | 77.2 | 168 | 0 | 0 | 0 | 0 | 0 | 112.3 | R215 | G213-R215 PolarHBondContact O-N 2.99Š| ||
| 214 | K | 25.8 | Very low | 25.5 | Very low | 186 Ų | 186 | 159.9 Ų | 159.9 | 81% | 0.809 | 81% | 0.813 | S | S | * | * | trans | -58.9 | 116.2 | 168.4 | -72 | 173.4 | 179.6 | 168.7 | 0 | 109.6 | ||||
| 215 | R | 28.2 | Very low | 25.6 | Very low | 240 Ų | 240 | 163.4 Ų | 163.4 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | trans | -126.4 | 111.5 | 160.1 | -77.6 | -173.4 | 179 | 169.9 | 1.4 | 109.7 | G213 | G213-R215 PolarHBondContact O-N 2.99Š| ||
| 216 | V | 25.3 | Very low | 25.6 | Very low | 133 Ų | 133 | 164 Ų | 164 | 81% | 0.806 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 134.2 | 172.5 | 178.4 | 0 | 0 | 0 | 0 | 109.4 | ||
| 217 | P | 28.9 | Very low | 25.6 | Very low | 120 Ų | 120 | 164.2 Ų | 164.2 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 129.3 | 171.6 | -12.2 | 27.9 | 0 | 0 | 0 | 110.7 | ||
| 218 | K | 28.1 | Very low | 25.7 | Very low | 188 Ų | 188 | 164.3 Ų | 164.3 | 82% | 0.817 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 130.2 | 172.6 | -74.2 | 175.2 | 174 | 177.9 | 0 | 110.5 | F220 | K218-F220 PolarHBondContact O-N 3.14Š|
| 219 | R | 25 | Very low | 25.7 | Very low | 249 Ų | 249 | 166.9 Ų | 166.9 | 94% | 0.94 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -51 | 122.2 | 162.2 | -96.6 | 175.5 | 168.5 | 163.7 | -4.7 | 109.4 | ||
| 220 | F | 23.8 | Very low | 25.8 | Very low | 202 Ų | 202 | 171 Ų | 171 | 89% | 0.886 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 117.2 | 161.8 | -88.1 | -92.1 | 0 | 0 | 0 | 108.2 | K218 | K218-F220 PolarHBondContact O-N 3.14Š|
| 221 | R | 24.1 | Very low | 25.9 | Very low | 229 Ų | 229 | 174 Ų | 174 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 138.1 | 163.6 | -83.9 | -176.9 | -173.4 | 178.8 | 1 | 108.2 | ||
| 222 | C | 20.7 | Very low | 25.4 | Very low | 99 Ų | 99 | 177.9 Ų | 177.9 | 67% | 0.669 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 128.4 | 170.5 | -157.2 | 0 | 0 | 0 | 0 | 107.9 | ||
| 223 | W | 29 | Very low | 25.5 | Very low | 231 Ų | 231 | 181.4 Ų | 181.4 | 88% | 0.875 | 84% | 0.841 | S | S | * | * | trans | 76.8 | 105.2 | 172.2 | -47.8 | 108.3 | 0 | 0 | 0 | 118.7 | ||||
| 224 | E | 23.3 | Very low | 25.7 | Very low | 173 Ų | 173 | 183.7 Ų | 183.7 | 81% | 0.808 | 84% | 0.843 | S | S | * | * | trans | -123.8 | 132.2 | 136.5 | -84.8 | 171 | 177.6 | 0 | 0 | 105.9 | ||||
| 225 | E | 27.5 | Very low | 25.6 | Very low | 179 Ų | 179 | 184.1 Ų | 184.1 | 84% | 0.836 | 85% | 0.848 | S | S | * | * | trans | -66.2 | 134.9 | 172.3 | -75.6 | 161.2 | 145.9 | 0 | 0 | 109.5 | ||||
| 226 | E | 25 | Very low | 25.4 | Very low | 194 Ų | 194 | 180.6 Ų | 180.6 | 91% | 0.907 | 84% | 0.842 | S | S | * | * | trans | -111.5 | 98.9 | 156 | -76.3 | -177.6 | 166.8 | 0 | 0 | 106.7 | ||||
| 227 | E | 25.4 | Very low | 25.3 | Very low | 175 Ų | 175 | 184.1 Ų | 184.1 | 82% | 0.818 | 85% | 0.846 | S | S | * | * | trans | -74.2 | 124.5 | 153.3 | -69.2 | -176.2 | 154.3 | 0 | 0 | 107.6 | ||||
| 228 | E | 24.8 | Very low | 25.2 | Very low | 196 Ų | 196 | 182.9 Ų | 182.9 | 92% | 0.916 | 84% | 0.84 | S | S | * | * | trans | -127.7 | 104 | 149.3 | -84.7 | -171.9 | 164.4 | 0 | 0 | 107.5 | ||||
| 229 | D | 24.1 | Very low | 25.2 | Very low | 149 Ų | 149 | 182.1 Ų | 182.1 | 80% | 0.797 | 84% | 0.844 | S | S | * | * | trans | -63.9 | 132.5 | 160.4 | -115.9 | -19.2 | 0 | 0 | 0 | 109 | ||||
| 230 | E | 26.1 | Very low | 25.1 | Very low | 188 Ų | 188 | 178.8 Ų | 178.8 | 88% | 0.879 | 84% | 0.839 | S | S | * | * | trans | -133.4 | 106.2 | 149 | -90.8 | -81.7 | 156.7 | 0 | 0 | 106.5 | ||||
| 231 | E | 25.5 | Very low | 25.3 | Very low | 171 Ų | 171 | 174.1 Ų | 174.1 | 80% | 0.799 | 83% | 0.832 | S | S | * | * | trans | -60.6 | 125.5 | 170.5 | -69 | -179.5 | 129.3 | 0 | 0 | 110.6 | ||||
| 232 | E | 24.8 | Very low | 25.5 | Very low | 197 Ų | 197 | 171.2 Ų | 171.2 | 92% | 0.921 | 83% | 0.832 | S | S | * | * | trans | -133.4 | 123.6 | 138.5 | -84 | -160.6 | 159.2 | 0 | 0 | 110.9 | ||||
| 233 | R | 26.1 | Very low | 25.7 | Very low | 240 Ų | 240 | 170.8 Ų | 170.8 | 91% | 0.906 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -73 | 145 | -171 | -154 | 178.9 | -166.3 | -177.9 | 5.3 | 111.5 | ||
| 234 | P | 28.2 | Very low | 25.5 | Very low | 118 Ų | 118 | 168 Ų | 168 | 77% | 0.766 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 129.5 | 175.5 | 32.7 | -29.4 | 0 | 0 | 0 | 111.1 | ||
| 235 | E | 23.8 | Very low | 25.6 | Very low | 196 Ų | 196 | 163 Ų | 163 | 92% | 0.916 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 133.2 | 162.8 | -78.5 | -166.1 | 163 | 0 | 0 | 111.3 | ||
| 236 | H | 24.4 | Very low | 25.5 | Very low | 166 Ų | 166 | 158.6 Ų | 158.6 | 77% | 0.769 | 84% | 0.836 | S | S | * | * | trans | -44.6 | 145.4 | 178.1 | -81 | -108.4 | 0 | 0 | 0 | 115.9 | ||||
| 237 | K | 23.8 | Very low | 25.5 | Very low | 207 Ų | 207 | 152.9 Ų | 152.9 | 90% | 0.9 | 83% | 0.83 | S | S | * | * | -156.3 | 108.1 | 122.4 | -107.4 | 162.3 | -169.5 | 175.2 | 0 | 111.6 | |||||
| 238 | S | 26.7 | Very low | 25.6 | Very low | 94 Ų | 94 | 149.5 Ų | 149.5 | 66% | 0.657 | 83% | 0.831 | S | S | * | * | trans | -60.7 | 143 | 159.4 | -49.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 239 | L | 27 | Very low | 26.2 | Very low | 171 Ų | 171 | 145.6 Ų | 145.6 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | trans | -149.8 | 108.2 | 143.6 | -125.9 | 125.9 | 0 | 0 | 0 | 109.5 | ||||
| 240 | E | 23.4 | Very low | 27 | Very low | 179 Ų | 179 | 143.6 Ų | 143.6 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | trans | -69.4 | 141.2 | 159.8 | -71.4 | 172.8 | 136 | 0 | 0 | 110.1 | ||||
| 241 | S | 28 | Very low | 27.1 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | trans | -163.1 | 100 | 139.7 | 58.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 242 | L | 27.8 | Very low | 27.3 | Very low | 167 Ų | 167 | 142.2 Ų | 142.2 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | 63.5 | 120.5 | 87.8 | -79.5 | 173.3 | 0 | 0 | 0 | 114.7 | |||||
| 243 | A | 25.4 | Very low | 27.4 | Very low | 91 Ų | 91 | 140.1 Ų | 140.1 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | 101.8 | 135.9 | 137.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 244 | D | 25 | Very low | 27.5 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 91% | 0.914 | 81% | 0.807 | S | S | * | * | trans | 69.5 | 130.5 | 160.8 | -88.4 | 0.6 | 0 | 0 | 0 | 118.2 | ||||
| 245 | G | 25.1 | Very low | 28.1 | Very low | 70 Ų | 70 | 136.6 Ų | 136.6 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | cis | 148.4 | 137.4 | 12.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 246 | G | 26 | Very low | 28.2 | Very low | 86 Ų | 86 | 134.5 Ų | 134.5 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | trans | 89.1 | 131 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 247 | G | 24.5 | Very low | 28.2 | Very low | 74 Ų | 74 | 135.1 Ų | 135.1 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | cis | 143.5 | 131.7 | 12.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 248 | A | 28 | Very low | 28.2 | Very low | 103 Ų | 103 | 128.9 Ų | 128.9 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | 71.8 | 103.2 | 158 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 249 | S | 35.9 | Very low | 28 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | -80.4 | 161.2 | 120.3 | -63.7 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 250 | P | 41.6 | Very low | 28.1 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | cis | -156 | -157 | 43 | 36.3 | -9.4 | 0 | 0 | 0 | 115.2 | ||||
| 251 | I | 28.8 | Very low | 28.3 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 75% | 0.749 | 82% | 0.817 | S | S | * | * | trans | 107.7 | 99.8 | 161.1 | -56.7 | 158.7 | 0 | 0 | 0 | 112.1 | ||||
| 252 | K | 29.4 | Very low | 28.1 | Very low | 183 Ų | 183 | 128.4 Ų | 128.4 | 80% | 0.796 | 82% | 0.82 | S | S | * | * | 65.6 | 109.6 | 67.2 | -154.4 | -175.7 | -170.7 | -176.2 | 0 | 112.7 | |||||
| 253 | D | 26.6 | Very low | 28.2 | Very low | 154 Ų | 154 | 129.3 Ų | 129.3 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | -179.5 | 130.6 | 129.3 | -84.8 | -22.1 | 0 | 0 | 0 | 112.9 | |||||
| 254 | Q | 27.1 | Very low | 28.2 | Very low | 180 Ų | 180 | 133 Ų | 133 | 84% | 0.841 | 83% | 0.828 | S | S | * | * | trans | -94.8 | -175.3 | 155.8 | -99 | -171.5 | 10.2 | 0 | 0 | 107.4 | ||||
| 255 | P | 41.8 | Very low | 28.2 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 68% | 0.675 | 82% | 0.82 | S | S | * | * | cis | -131 | 167.7 | -42 | 35.4 | -19.7 | 0 | 0 | 0 | 111.3 | ||||
| 256 | V | 24.8 | Very low | 28.3 | Very low | 151 Ų | 151 | 130.9 Ų | 130.9 | 92% | 0.915 | 83% | 0.826 | S | S | * | * | trans | -144.9 | 136.2 | 155.3 | -179.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 257 | M | 26.1 | Very low | 28.4 | Very low | 180 Ų | 180 | 131.3 Ų | 131.3 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | trans | -66.7 | 142.6 | 178.5 | -78.1 | -110 | -72.4 | 0 | 0 | 116.1 | ||||
| 258 | G | 22.9 | Very low | 28.8 | Very low | 75 Ų | 75 | 136.2 Ų | 136.2 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | 92.6 | 113.1 | 116.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 259 | A | 23.4 | Very low | 29 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 90% | 0.901 | 82% | 0.822 | S | S | * | * | -170.5 | 127.9 | 123.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 260 | K | 28.6 | Very low | 28.7 | Very low | 199 Ų | 199 | 141.7 Ų | 141.7 | 87% | 0.865 | 82% | 0.824 | S | S | * | * | trans | -84.5 | 155.6 | 178.2 | -66.4 | 174 | 173.5 | 178.9 | 0 | 111.4 | ||||
| 261 | T | 27 | Very low | 28.3 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 94% | 0.939 | 83% | 0.831 | S | S | * | * | trans | 172.4 | 135.6 | 135.9 | 28.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 262 | G | 25.1 | Very low | 28.4 | Very low | 78 Ų | 78 | 144 Ų | 144 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | cis | -159 | 162.9 | 3.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 263 | Q | 29.5 | Very low | 28.4 | Very low | 187 Ų | 187 | 138.6 Ų | 138.6 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | trans | -69.4 | 147.2 | -176.6 | -73.5 | 160.2 | -78.9 | 0 | 0 | 113.6 | ||||
| 264 | D | 25.3 | Very low | 28.7 | Very low | 169 Ų | 169 | 138 Ų | 138 | 90% | 0.904 | 83% | 0.829 | S | S | * | * | -166 | 124.3 | 120.3 | -85.6 | -20.7 | 0 | 0 | 0 | 105 | |||||
| 265 | G | 24 | Very low | 29.3 | Very low | 73 Ų | 73 | 134.1 Ų | 134.1 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | cis | 114 | 70.5 | 19.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 266 | S | 27.6 | Very low | 29.8 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | 175.5 | 129.7 | 138.4 | 63.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 267 | S | 28.5 | Very low | 31.6 | Very low | 96 Ų | 96 | 133.8 Ų | 133.8 | 67% | 0.671 | 82% | 0.819 | S | S | * | * | trans | 76.1 | 75 | 158.1 | -154 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 268 | L | 32.7 | Very low | 34.1 | Very low | 177 Ų | 177 | 128.1 Ų | 128.1 | 93% | 0.927 | 79% | 0.792 | S | S | * | * | trans | -118.2 | 54.6 | 150.4 | -147.8 | 141.3 | 0 | 0 | 0 | 107.2 | ||||
| 269 | E | 31.7 | Very low | 37.3 | Very low | 175 Ų | 175 | 131.2 Ų | 131.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -147.9 | 68.3 | 176 | -77.4 | -161.9 | 156 | 0 | 0 | 109.8 | ||||
| 270 | D | 30.7 | Very low | 40.4 | Very low | 156 Ų | 156 | 126.4 Ų | 126.4 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -151.1 | 24.6 | 165.3 | -91.7 | -35.9 | 0 | 0 | 0 | 112.9 | ||
| 271 | A | 31.8 | Very low | 43.4 | Very low | 102 Ų | 102 | 118.1 Ų | 118.1 | 84% | 0.843 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -136.9 | 25.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 272 | K | 31.5 | Very low | 46.3 | Very low | 201 Ų | 201 | 119 Ų | 119 | 87% | 0.874 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -128 | 8.3 | 174.3 | -97.1 | -178.8 | 178.5 | 177.9 | 0 | 114.1 | ||
| 273 | G | 29.8 | Very low | 49.3 | Very low | 70 Ų | 70 | 117.4 Ų | 117.4 | 72% | 0.722 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 66.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 274 | L | 32.9 | Very low | 52.2 | Low | 142 Ų | 142 | 108.5 Ų | 108.5 | 74% | 0.743 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -175.2 | 37.5 | 161.5 | -103.7 | 152.6 | 0 | 0 | 0 | 110.6 | E276 | L274-E276 HydrophobicContact CD2-CG 3.84Å; L274-E276 PolarHBondContact O-N 2.69Å |
| 275 | A | 40.7 | Very low | 55.4 | Low | 98 Ų | 98 | 104.5 Ų | 104.5 | 81% | 0.81 | 62% | 0.617 | S | S | * | * | trans | -71.1 | 80 | 156.7 | 0 | 0 | 0 | 0 | 0 | 106 | S277 | A275-S277 PolarHBondContact O-N 3.25Å; A275-S277 VanDerWaalsContact O-N 3.17Å | ||
| 276 | E | 50.8 | Low | 58.5 | Low | 137 Ų | 137 | 106.7 Ų | 106.7 | 64% | 0.64 | 61% | 0.611 | S | S | * | * | trans | -50.5 | 125.3 | 170.6 | -70.2 | -178.2 | 165.2 | 0 | 0 | 106.7 | L274 L278 | L274-E276 HydrophobicContact CD2-CG 3.84Å; L274-E276 PolarHBondContact O-N 2.69Å; E276-L278 PolarHBondContact O-N 3.42Å | ||
| 277 | S | 63.1 | Low | 61.6 | Low | 110 Ų | 110 | 103.4 Ų | 103.4 | 77% | 0.769 | 58% | 0.582 | S | S | * | * | trans | -64.6 | 71.5 | 168.9 | 54 | 0 | 0 | 0 | 0 | 108.2 | A275 E279 | A275-S277 PolarHBondContact O-N 3.25Å; A275-S277 VanDerWaalsContact O-N 3.17Å; S277-E279 PolarHBondContact O-N 3.47Å; S277-E279 VanDerWaalsContact O-N 3.15Å | ||
| 278 | L | 79.3 | Confident | 64.6 | Low | 61 Ų | 61 | 100.1 Ų | 100.1 | 32% | 0.319 | 56% | 0.557 | S | S | . | * | trans | -78.6 | 102.8 | -176.9 | -166.2 | 83.2 | 0 | 0 | 0 | 106.9 | E276 S322 Q323 L326 | E276-L278 PolarHBondContact O-N 3.42Å; L278-S322 VanDerWaalsContact CD2-C 3.44Å; L278-S322 WeakPolarHBondContact CD2-O 3.38Å; L278-Q323 HydrophobicContact CD2-CG 4.17Å; L278-Q323 HydrophobicContact CG-CG 4.2Å; L278-L326 HydrophobicContact CD2-CB 4.38Å; L278-L326 HydrophobicContact CD2-CD2 4.42Å; L278-L326 WeakPolarHBondContact O-CD2 3.34Å | ||
| 279 | E | 88.8 | Confident | 67.4 | Low | 140 Ų | 140 | 95.7 Ų | 95.7 | 65% | 0.654 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -87.5 | 138.5 | 178.1 | -65.3 | -175.6 | 174.5 | 0 | 0 | 110.2 | S277 Q323 | S277-E279 PolarHBondContact O-N 3.47Å; S277-E279 VanDerWaalsContact O-N 3.15Å; E279-Q323 PolarHBondContact O-NE2 3.39Å |
| 280 | L | 89.8 | Confident | 70.3 | Confident | 9 Ų | 9 | 93.8 Ų | 93.8 | 5% | 0.047 | 52% | 0.524 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 154.1 | 171.1 | -68.7 | 176 | 0 | 0 | 0 | 110 | K282 I284 Q285 Q323 L326 L327 | L280-K282 PolarHBondContact O-N 3.23Å; L280-I284 HydrophobicContact CB-CG2 4.11Å; L280-I284 HydrophobicContact CD1-CG2 3.96Å; L280-I284 HydrophobicContact CG-CG2 4.43Å; L280-Q285 HydrophobicContact CB-CG 3.7Å; L280-Q285 PolarHBondContact O-NE2 2.97Å; L280-Q323 HydrophobicContact CD2-CB 4.11Å; L280-Q323 VanDerWaalsContact CD2-O 3.25Å; L280-Q323 WeakPolarHBondContact CD2-O 3.49Å; L280-L326 HydrophobicContact CD2-CB 4.25Å; L280-L326 HydrophobicContact CD2-CD2 4.02Å; L280-L326 HydrophobicContact CD2-CG 4.17Å; L280-L326 HydrophobicContact CG-CD2 3.98Å; L280-L326 HydrophobicContact CG-CG 4.38Å; L280-L327 HydrophobicContact CD1-CD1 4.21Å; L280-L327 HydrophobicContact CD2-CB 3.96Å |
| 281 | P | 91.1 | Very high | 73.2 | Confident | 24 Ų | 24 | 86.6 Ų | 86.6 | 16% | 0.156 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -53.8 | 140.1 | 170.7 | -24.1 | 34.1 | 0 | 0 | 0 | 111 | A283 I284 Q285 E318 | P281-A283 VanDerWaalsContact C-N 3.26Å; P281-A283 PolarHBondContact O-N 2.9Å; P281-I284 HydrophobicContact CB-CB 4.43Å; P281-I284 HydrophobicContact CB-CG1 4.3Å; P281-I284 HydrophobicContact CG-CG1 4.38Å; P281-I284 WeakPolarHBondContact O-CA 2.91Å; P281-I284 WeakPolarHBondContact O-CB 3.41Å; P281-I284 PolarHBondContact O-N 2.96Å; P281-Q285 PolarHBondContact O-N 2.92Å; P281-E318 HydrophobicContact CB-CB 4.34Å; P281-E318 HydrophobicContact CG-CB 4.32Å; P281-E318 WeakPolarHBondContact CG-O 3.38Å |
| 282 | K | 88.3 | Confident | 76 | Confident | 172 Ų | 172 | 85.4 Ų | 85.4 | 75% | 0.748 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -53.1 | -43.6 | -176.4 | -67.5 | -177.2 | 179.2 | -179.4 | 0 | 112.7 | L280 I284 Q285 D286 | L280-K282 PolarHBondContact O-N 3.23Å; K282-I284 PolarHBondContact O-N 3.15Å; K282-Q285 PolarHBondContact O-N 3.28Å; K282-Q285 VanDerWaalsContact O-N 3.09Å; K282-D286 VanDerWaalsContact O-CG 3.22Å; K282-D286 PolarHBondContact O-N 3.41Å |
| 283 | A | 88.2 | Confident | 78.9 | Confident | 44 Ų | 44 | 82.2 Ų | 82.2 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.3 | -35.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P281 Q287 L315 | P281-A283 VanDerWaalsContact C-N 3.26Å; P281-A283 PolarHBondContact O-N 2.9Å; A283-Q287 WeakPolarHBondContact O-CB 3.15Å; A283-Q287 WeakPolarHBondContact O-CG 3.23Å; A283-Q287 PolarHBondContact O-N 3.38Å; A283-L315 HydrophobicContact CB-CD2 4.35Å |
| 284 | I | 90.5 | Very high | 81.7 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -74.5 | -42.3 | 174.9 | -70.7 | -75.3 | 0 | 0 | 0 | 110.8 | L280 P281 K282 D286 Q287 L288 L291 L315 L327 | L280-I284 HydrophobicContact CB-CG2 4.11Å; L280-I284 HydrophobicContact CD1-CG2 3.96Å; L280-I284 HydrophobicContact CG-CG2 4.43Å; P281-I284 HydrophobicContact CB-CB 4.43Å; P281-I284 HydrophobicContact CB-CG1 4.3Å; P281-I284 HydrophobicContact CG-CG1 4.38Å; P281-I284 WeakPolarHBondContact O-CA 2.91Å; P281-I284 WeakPolarHBondContact O-CB 3.41Å; P281-I284 PolarHBondContact O-N 2.96Å; K282-I284 PolarHBondContact O-N 3.15Å; I284-D286 VanDerWaalsContact C-N 3.3Å; I284-D286 PolarHBondContact O-N 3.26Å; I284-Q287 CarbonylContact O-C 3.53Å; I284-Q287 PolarHBondContact O-N 3.4Å; I284-L288 WeakPolarHBondContact O-CA 3.12Å; I284-L288 WeakPolarHBondContact O-CB 3.15Å; I284-L288 PolarHBondContact O-N 3.33Å; I284-L291 HydrophobicContact CD1-CD1 4.41Å; I284-L315 HydrophobicContact CD1-CB 3.33Å; I284-L315 HydrophobicContact CD1-CD1 4.42Å; I284-L315 HydrophobicContact CG1-CB 4.16Å; I284-L327 HydrophobicContact CD1-CD2 4.15Å; I284-L327 HydrophobicContact CG2-CD1 3.7Å; I284-L327 HydrophobicContact CG2-CD2 4.13Å; I284-L327 HydrophobicContact CG2-CG 4.47Å |
| 285 | Q | 90.9 | Very high | 84.4 | Confident | 86 Ų | 86 | 74.6 Ų | 74.6 | 40% | 0.402 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.5 | -44.9 | 177.6 | -65.4 | -173.8 | 24.9 | 0 | 0 | 111.3 | L280 P281 K282 Q287 L288 | L280-Q285 HydrophobicContact CB-CG 3.7Å; L280-Q285 PolarHBondContact O-NE2 2.97Å; P281-Q285 PolarHBondContact O-N 2.92Å; K282-Q285 PolarHBondContact O-N 3.28Å; K282-Q285 VanDerWaalsContact O-N 3.09Å; Q285-Q287 VanDerWaalsContact C-N 3.3Å; Q285-Q287 PolarHBondContact O-N 2.72Å; Q285-L288 WeakPolarHBondContact O-CB 3.46Å; Q285-L288 PolarHBondContact O-N 2.82Å |
| 286 | D | 90.4 | Very high | 86.7 | Confident | 118 Ų | 118 | 76.2 Ų | 76.2 | 63% | 0.631 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.7 | -32.3 | -179.7 | -63.5 | -24.9 | 0 | 0 | 0 | 112.3 | K282 I284 | K282-D286 VanDerWaalsContact O-CG 3.22Å; K282-D286 PolarHBondContact O-N 3.41Å; I284-D286 VanDerWaalsContact C-N 3.3Å; I284-D286 PolarHBondContact O-N 3.26Å |
| 287 | Q | 91.8 | Very high | 88.4 | Confident | 53 Ų | 53 | 71.6 Ų | 71.6 | 25% | 0.248 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -97.9 | -1.6 | -178.5 | -59.5 | -57.6 | -34.1 | 0 | 0 | 113.9 | A283 I284 Q285 P289 R290 L291 L315 | A283-Q287 WeakPolarHBondContact O-CB 3.15Å; A283-Q287 WeakPolarHBondContact O-CG 3.23Å; A283-Q287 PolarHBondContact O-N 3.38Å; I284-Q287 CarbonylContact O-C 3.53Å; I284-Q287 PolarHBondContact O-N 3.4Å; Q285-Q287 VanDerWaalsContact C-N 3.3Å; Q285-Q287 PolarHBondContact O-N 2.72Å; Q287-P289 VanDerWaalsContact C-CD 3.49Å; Q287-R290 WeakPolarHBondContact O-CB 3.49Å; Q287-R290 PolarHBondContact O-N 3.14Å; Q287-L291 PolarHBondContact O-N 3.07Å; Q287-L315 HydrophobicContact CB-CD1 3.86Å; Q287-L315 HydrophobicContact CG-CD1 3.71Å |
| 288 | L | 92 | Very high | 89.4 | Confident | 27 Ų | 27 | 66.4 Ų | 66.4 | 14% | 0.141 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56 | -43.7 | -178.5 | -176.4 | 69.3 | 0 | 0 | 0 | 113.1 | I284 Q285 R290 L291 Q292 L327 Q330 L331 | I284-L288 WeakPolarHBondContact O-CA 3.12Å; I284-L288 WeakPolarHBondContact O-CB 3.15Å; I284-L288 PolarHBondContact O-N 3.33Å; Q285-L288 WeakPolarHBondContact O-CB 3.46Å; Q285-L288 PolarHBondContact O-N 2.82Å; L288-R290 VanDerWaalsContact C-N 3.26Å; L288-R290 PolarHBondContact O-N 2.92Å; L288-L291 PolarHBondContact O-N 3.39Å; L288-Q292 WeakPolarHBondContact O-CG 3.31Å; L288-Q292 PolarHBondContact O-N 2.99Å; L288-L327 HydrophobicContact CD1-CD1 3.64Å; L288-Q330 HydrophobicContact CD1-CB 4.38Å; L288-L331 HydrophobicContact CD1-CD2 3.76Å; L288-L331 HydrophobicContact CD1-CG 4.31Å |
| 289 | P | 92.5 | Very high | 89.4 | Confident | 84 Ų | 84 | 67.6 Ų | 67.6 | 55% | 0.545 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.3 | -34.8 | 176.8 | -21.9 | 34.3 | 0 | 0 | 0 | 112.6 | Q287 Q292 Q293 | Q287-P289 VanDerWaalsContact C-CD 3.49Å; P289-Q292 PolarHBondContact O-N 2.87Å; P289-Q293 WeakPolarHBondContact O-CB 3.07Å; P289-Q293 PolarHBondContact O-N 3.32Å |
| 290 | R | 90.7 | Very high | 89 | Confident | 135 Ų | 135 | 67.1 Ų | 67.1 | 51% | 0.509 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.6 | -43 | 176.6 | -64.5 | -160.3 | -172.5 | -177.9 | -4.9 | 111.5 | Q287 L288 Q292 Q293 L294 E312 | Q287-R290 WeakPolarHBondContact O-CB 3.49Å; Q287-R290 PolarHBondContact O-N 3.14Å; L288-R290 VanDerWaalsContact C-N 3.26Å; L288-R290 PolarHBondContact O-N 2.92Å; R290-Q292 VanDerWaalsContact C-N 3.31Å; R290-Q292 PolarHBondContact O-N 2.85Å; R290-Q293 WeakPolarHBondContact O-CB 2.89Å; R290-Q293 PolarHBondContact O-N 3.08Å; R290-Q293 VanDerWaalsContact O-N 3.15Å; R290-L294 WeakPolarHBondContact O-CG 3.19Å; R290-L294 PolarHBondContact O-N 3.48Å; R290-E312 IonicContact NH1-OE1 3.49Å; R290-E312 PolarHBondContact NH1-OE1 2.67Å |
| 291 | L | 91.6 | Very high | 87.8 | Confident | 5 Ų | 5 | 68.1 Ų | 68.1 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 174.7 | -71.9 | 170.9 | 0 | 0 | 0 | 111.5 | I284 Q287 L288 Q293 L294 L295 E312 L313 L331 | I284-L291 HydrophobicContact CD1-CD1 4.41Å; Q287-L291 PolarHBondContact O-N 3.07Å; L288-L291 PolarHBondContact O-N 3.39Å; L291-Q293 VanDerWaalsContact C-N 3.34Å; L291-Q293 PolarHBondContact O-N 3.49Å; L291-L294 HydrophobicContact CD2-CD1 4.45Å; L291-L294 PolarHBondContact O-N 2.93Å; L291-L295 WeakPolarHBondContact O-CG 3.29Å; L291-L295 PolarHBondContact O-N 3.07Å; L291-E312 HydrophobicContact CD2-CB 3.79Å; L291-E312 HydrophobicContact CG-CB 4.38Å; L291-L313 HydrophobicContact CD2-CD1 4.2Å; L291-L331 HydrophobicContact CB-CD2 3.72Å |
| 292 | Q | 92.4 | Very high | 86 | Confident | 78 Ų | 78 | 72 Ų | 72 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 174.6 | -71.6 | 177.8 | -16.1 | 0 | 0 | 112.5 | L288 P289 R290 L295 K296 Q330 L331 | L288-Q292 WeakPolarHBondContact O-CG 3.31Å; L288-Q292 PolarHBondContact O-N 2.99Å; P289-Q292 PolarHBondContact O-N 2.87Å; R290-Q292 VanDerWaalsContact C-N 3.31Å; R290-Q292 PolarHBondContact O-N 2.85Å; Q292-L295 PolarHBondContact O-N 3.29Å; Q292-K296 PolarHBondContact O-N 3.24Å; Q292-K296 VanDerWaalsContact O-N 3.14Å; Q292-Q330 PolarHBondContact NE2-O 3.43Å; Q292-Q330 VanDerWaalsContact NE2-O 3.08Å; Q292-L331 HydrophobicContact CG-CD2 3.78Å |
| 293 | Q | 90.8 | Very high | 83.9 | Confident | 133 Ų | 133 | 73.6 Ų | 73.6 | 62% | 0.621 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.8 | -43.5 | 175.2 | -174.3 | 174.4 | 3.3 | 0 | 0 | 111.5 | P289 R290 L291 L295 K296 T297 | P289-Q293 WeakPolarHBondContact O-CB 3.07Å; P289-Q293 PolarHBondContact O-N 3.32Å; R290-Q293 WeakPolarHBondContact O-CB 2.89Å; R290-Q293 PolarHBondContact O-N 3.08Å; R290-Q293 VanDerWaalsContact O-N 3.15Å; L291-Q293 VanDerWaalsContact C-N 3.34Å; L291-Q293 PolarHBondContact O-N 3.49Å; Q293-L295 VanDerWaalsContact C-N 3.31Å; Q293-L295 PolarHBondContact O-N 3.05Å; Q293-K296 PolarHBondContact O-N 3.32Å; Q293-T297 WeakPolarHBondContact O-CG2 3.49Å; Q293-T297 PolarHBondContact O-N 3.43Å |
| 294 | L | 89.1 | Confident | 82 | Confident | 39 Ų | 39 | 75.1 Ų | 75.1 | 20% | 0.204 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59 | -42.8 | 175.7 | -71.6 | 168.8 | 0 | 0 | 0 | 111.6 | R290 L291 K296 T297 L298 P310 E312 | R290-L294 WeakPolarHBondContact O-CG 3.19Å; R290-L294 PolarHBondContact O-N 3.48Å; L291-L294 HydrophobicContact CD2-CD1 4.45Å; L291-L294 PolarHBondContact O-N 2.93Å; L294-K296 VanDerWaalsContact C-N 3.34Å; L294-K296 PolarHBondContact O-N 2.95Å; L294-T297 WeakPolarHBondContact CA-OG1 3.12Å; L294-T297 PolarHBondContact O-N 3.17Å; L294-T297 PolarHBondContact O-OG1 3.23Å; L294-L298 WeakPolarHBondContact O-CG 3.12Å; L294-L298 PolarHBondContact O-N 2.98Å; L294-L298 VanDerWaalsContact O-N 3.08Å; L294-P310 HydrophobicContact CD1-CB 3.98Å; L294-P310 HydrophobicContact CD1-CG 3.74Å; L294-P310 HydrophobicContact CD2-CB 4.37Å; L294-P310 HydrophobicContact CD2-CG 4.3Å; L294-E312 HydrophobicContact CD1-CB 4.23Å |
| 295 | L | 89.7 | Confident | 80.3 | Confident | 13 Ų | 13 | 77.7 Ų | 77.7 | 7% | 0.068 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 176.1 | -68.4 | 176.7 | 0 | 0 | 0 | 112.8 | L291 Q292 Q293 L298 E299 L331 L333 L336 L344 | L291-L295 WeakPolarHBondContact O-CG 3.29Å; L291-L295 PolarHBondContact O-N 3.07Å; Q292-L295 PolarHBondContact O-N 3.29Å; Q293-L295 VanDerWaalsContact C-N 3.31Å; Q293-L295 PolarHBondContact O-N 3.05Å; L295-L298 HydrophobicContact CD2-CD1 3.96Å; L295-L298 WeakPolarHBondContact O-CB 3.2Å; L295-L298 PolarHBondContact O-N 3.31Å; L295-E299 PolarHBondContact O-N 3.2Å; L295-L331 HydrophobicContact CD1-CB 3.69Å; L295-L331 HydrophobicContact CD1-CD1 4.27Å; L295-L331 HydrophobicContact CD1-CD2 3.97Å; L295-L331 HydrophobicContact CD1-CG 4.18Å; L295-L331 WeakPolarHBondContact CD1-O 3.16Å; L295-L333 HydrophobicContact CD1-CD2 3.63Å; L295-L333 HydrophobicContact CD2-CD2 4.12Å; L295-L336 HydrophobicContact CB-CD2 4.28Å; L295-L336 HydrophobicContact CD2-CD1 4.3Å; L295-L336 HydrophobicContact CD2-CD2 4.34Å; L295-L344 HydrophobicContact CD2-CD1 4.19Å; L295-L344 HydrophobicContact CD2-CD2 4.01Å |
| 296 | K | 88.9 | Confident | 78.7 | Confident | 133 Ų | 133 | 81 Ų | 81 | 58% | 0.578 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63.8 | -40 | 173.6 | -71.7 | 179.2 | 179.5 | 179.2 | 0 | 112.2 | Q292 Q293 L294 L298 E299 E300 | Q292-K296 PolarHBondContact O-N 3.24Å; Q292-K296 VanDerWaalsContact O-N 3.14Å; Q293-K296 PolarHBondContact O-N 3.32Å; L294-K296 VanDerWaalsContact C-N 3.34Å; L294-K296 PolarHBondContact O-N 2.95Å; K296-L298 VanDerWaalsContact C-N 3.27Å; K296-L298 PolarHBondContact O-N 3.42Å; K296-E299 WeakPolarHBondContact O-CB 3.05Å; K296-E299 PolarHBondContact O-N 3.02Å; K296-E299 VanDerWaalsContact O-N 3.09Å; K296-E300 WeakPolarHBondContact O-CG 3.32Å; K296-E300 PolarHBondContact O-N 3.33Å; K296-E300 VanDerWaalsContact O-N 3.12Å |
| 297 | T | 86.8 | Confident | 77.4 | Confident | 40 Ų | 40 | 82.2 Ų | 82.2 | 25% | 0.245 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65 | -30.9 | 177.3 | 59.7 | 0 | 0 | 0 | 0 | 113 | Q293 L294 E299 E300 | Q293-T297 WeakPolarHBondContact O-CG2 3.49Å; Q293-T297 PolarHBondContact O-N 3.43Å; L294-T297 WeakPolarHBondContact CA-OG1 3.12Å; L294-T297 PolarHBondContact O-N 3.17Å; L294-T297 PolarHBondContact O-OG1 3.23Å; T297-E299 VanDerWaalsContact C-N 3.34Å; T297-E300 PolarHBondContact O-N 3.42Å |
| 298 | L | 84.3 | Confident | 76.7 | Confident | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65.9 | -37.3 | 172.3 | -68.3 | 167.9 | 0 | 0 | 0 | 111.5 | L294 L295 K296 G301 L305 Q343 L344 W347 | L294-L298 WeakPolarHBondContact O-CG 3.12Å; L294-L298 PolarHBondContact O-N 2.98Å; L294-L298 VanDerWaalsContact O-N 3.08Å; L295-L298 HydrophobicContact CD2-CD1 3.96Å; L295-L298 WeakPolarHBondContact O-CB 3.2Å; L295-L298 PolarHBondContact O-N 3.31Å; K296-L298 VanDerWaalsContact C-N 3.27Å; K296-L298 PolarHBondContact O-N 3.42Å; L298-G301 PolarHBondContact O-N 3.31Å; L298-L305 HydrophobicContact CD2-CD2 3.28Å; L298-L305 HydrophobicContact CG-CD2 4.2Å; L298-Q343 HydrophobicContact CD2-CB 3.53Å; L298-Q343 HydrophobicContact CD2-CG 4.47Å; L298-Q343 PolarHBondContact O-OE1 3.18Å; L298-L344 HydrophobicContact CD1-CB 4.13Å; L298-L344 HydrophobicContact CD1-CD1 4.43Å; L298-W347 HydrophobicContact CD1-CE3 3.98Å; L298-W347 HydrophobicContact CD1-CH2 4.39Å; L298-W347 HydrophobicContact CD1-CZ3 3.66Å; L298-W347 HydrophobicContact CD2-CD2 4.35Å; L298-W347 HydrophobicContact CD2-CE3 4.04Å; L298-W347 HydrophobicContact CD2-CH2 3.67Å; L298-W347 HydrophobicContact CD2-CZ2 4.01Å; L298-W347 HydrophobicContact CD2-CZ3 3.69Å; L298-W347 HydrophobicContact CG-CE3 4.44Å; L298-W347 HydrophobicContact CG-CH2 4.04Å; L298-W347 HydrophobicContact CG-CZ3 3.82Å |
| 299 | E | 80 | Confident | 76.2 | Confident | 87 Ų | 87 | 82.4 Ų | 82.4 | 41% | 0.407 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -71.2 | -31.3 | 178.6 | -67 | -177.1 | 148.2 | 0 | 0 | 113.1 | L295 K296 T297 G301 L336 | L295-E299 PolarHBondContact O-N 3.2Å; K296-E299 WeakPolarHBondContact O-CB 3.05Å; K296-E299 PolarHBondContact O-N 3.02Å; K296-E299 VanDerWaalsContact O-N 3.09Å; T297-E299 VanDerWaalsContact C-N 3.34Å; E299-G301 PolarHBondContact O-N 3.08Å; E299-L336 HydrophobicContact CG-CD2 4.25Å; E299-L336 WeakPolarHBondContact OE1-CA 3.15Å |
| 300 | E | 79.8 | Confident | 75.9 | Confident | 130 Ų | 130 | 79.7 Ų | 79.7 | 61% | 0.607 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -10.6 | 179.4 | -70.4 | 171.4 | -172.6 | 0 | 0 | 113.1 | K296 T297 L302 | K296-E300 WeakPolarHBondContact O-CG 3.32Å; K296-E300 PolarHBondContact O-N 3.33Å; K296-E300 VanDerWaalsContact O-N 3.12Å; T297-E300 PolarHBondContact O-N 3.42Å; E300-L302 HydrophobicContact CB-CG 4.35Å; E300-L302 PolarHBondContact O-N 2.95Å |
| 301 | G | 63.2 | Low | 75.8 | Confident | 29 Ų | 29 | 78.3 Ų | 78.3 | 30% | 0.299 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 25.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L298 E299 E303 | L298-G301 PolarHBondContact O-N 3.31Å; E299-G301 PolarHBondContact O-N 3.08Å; G301-E303 PolarHBondContact O-N 3.07Å; G301-E303 VanDerWaalsContact O-N 3.11Å |
| 302 | L | 53.6 | Low | 75.7 | Confident | 105 Ų | 105 | 79.6 Ų | 79.6 | 55% | 0.55 | 43% | 0.433 | S | S | . | . | trans | -62.1 | 115.8 | -177.2 | -68.6 | 170.7 | 0 | 0 | 0 | 110.4 | E300 G304 | E300-L302 HydrophobicContact CB-CG 4.35Å; E300-L302 PolarHBondContact O-N 2.95Å; L302-G304 PolarHBondContact O-N 3.47Å | ||
| 303 | E | 44.6 | Very low | 75.6 | Confident | 206 Ų | 206 | 76.5 Ų | 76.5 | 96% | 0.963 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 106.3 | 171 | -71.4 | 174.9 | 156.8 | 0 | 0 | 108.9 | G301 | G301-E303 PolarHBondContact O-N 3.07Å; G301-E303 VanDerWaalsContact O-N 3.11Å |
| 304 | G | 48.8 | Very low | 75.6 | Confident | 76 Ų | 76 | 73.2 Ų | 73.2 | 78% | 0.784 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 136.3 | 4.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | L302 E306 | L302-G304 PolarHBondContact O-N 3.47Å; G304-E306 PolarHBondContact O-N 3.28Å |
| 305 | L | 54.1 | Low | 75.6 | Confident | 54 Ų | 54 | 73.3 Ų | 73.3 | 28% | 0.283 | 40% | 0.404 | S | S | . | . | trans | -60 | 124.9 | 168.9 | -108.6 | 75.3 | 0 | 0 | 0 | 110.2 | L298 D307 W347 | L298-L305 HydrophobicContact CD2-CD2 3.28Å; L298-L305 HydrophobicContact CG-CD2 4.2Å; L305-D307 PolarHBondContact O-N 3.49Å; L305-W347 HydrophobicContact CD2-CH2 3.59Å; L305-W347 HydrophobicContact CD2-CZ2 3.28Å; L305-W347 HydrophobicContact CG-CH2 4.39Å; L305-W347 HydrophobicContact CG-CZ2 3.92Å | ||
| 306 | E | 57.6 | Low | 75.7 | Confident | 157 Ų | 157 | 73.1 Ų | 73.1 | 73% | 0.734 | 40% | 0.403 | S | S | * | . | trans | -57.5 | 132.9 | 171.2 | -71.1 | -178.7 | 156.7 | 0 | 0 | 109.5 | G304 A308 W347 | G304-E306 PolarHBondContact O-N 3.28Å; E306-A308 PolarHBondContact O-N 2.99Å; E306-A308 VanDerWaalsContact O-N 3.08Å; E306-W347 PolarHBondContact O-NE1 2.95Å; E306-W347 VanDerWaalsContact O-NE1 3.16Å | ||
| 307 | D | 62.6 | Low | 75.9 | Confident | 143 Ų | 143 | 69.5 Ų | 69.5 | 77% | 0.765 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -61.4 | -15.5 | 174.6 | -74 | -40.6 | 0 | 0 | 0 | 112.1 | L305 | L305-D307 PolarHBondContact O-N 3.49Š|
| 308 | A | 76.8 | Confident | 76.1 | Confident | 58 Ų | 58 | 73.6 Ų | 73.6 | 48% | 0.479 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -78.9 | 136.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E306 | E306-A308 PolarHBondContact O-N 2.99Å; E306-A308 VanDerWaalsContact O-N 3.08Å |
| 309 | P | 82.5 | Confident | 76.4 | Confident | 25 Ų | 25 | 73.9 Ų | 73.9 | 16% | 0.162 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 134.7 | 177.2 | 27.6 | -32.2 | 0 | 0 | 0 | 110.2 | L313 W347 A350 L351 | P309-L313 HydrophobicContact CB-CD2 4.32Å; P309-W347 HydrophobicContact CB-CB 4.07Å; P309-W347 HydrophobicContact CB-CG 4.39Å; P309-A350 HydrophobicContact CG-CB 3.94Å; P309-L351 HydrophobicContact CB-CD2 4.23Å; P309-L351 HydrophobicContact CG-CD2 4.4Å |
| 310 | P | 86.6 | Confident | 77.1 | Confident | 27 Ų | 27 | 71.9 Ų | 71.9 | 18% | 0.175 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 147 | 176.6 | 26.1 | -33.2 | 0 | 0 | 0 | 110.5 | L294 E312 L313 Q314 W347 | L294-P310 HydrophobicContact CD1-CB 3.98Å; L294-P310 HydrophobicContact CD1-CG 3.74Å; L294-P310 HydrophobicContact CD2-CB 4.37Å; L294-P310 HydrophobicContact CD2-CG 4.3Å; P310-E312 PolarHBondContact O-N 3.44Å; P310-E312 VanDerWaalsContact O-N 3.08Å; P310-L313 HydrophobicContact CG-CB 4.41Å; P310-L313 VanDerWaalsContact O-CB 3.28Å; P310-L313 WeakPolarHBondContact O-CB 3.35Å; P310-L313 PolarHBondContact O-N 2.9Å; P310-Q314 PolarHBondContact O-OE1 2.99Å; P310-W347 HydrophobicContact CG-CE3 4.1Å; P310-W347 HydrophobicContact CG-CH2 4.16Å; P310-W347 HydrophobicContact CG-CZ3 3.88Å |
| 311 | V | 87.6 | Confident | 77.8 | Confident | 107 Ų | 107 | 68.1 Ų | 68.1 | 65% | 0.648 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -58.1 | -26.8 | -173.6 | 69.8 | 0 | 0 | 0 | 0 | 113.2 | L313 Q314 | V311-L313 PolarHBondContact O-N 3.18Å; V311-Q314 PolarHBondContact O-N 3.1Å; V311-Q314 PolarHBondContact O-OE1 2.95Å |
| 312 | E | 89.8 | Confident | 79.2 | Confident | 32 Ų | 32 | 70 Ų | 70 | 15% | 0.15 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -63.6 | -27.4 | 176.1 | -66.8 | 79.9 | -178.9 | 0 | 0 | 112.2 | R290 L291 L294 P310 Q314 L315 | R290-E312 IonicContact NH1-OE1 3.49Å; R290-E312 PolarHBondContact NH1-OE1 2.67Å; L291-E312 HydrophobicContact CD2-CB 3.79Å; L291-E312 HydrophobicContact CG-CB 4.38Å; L294-E312 HydrophobicContact CD1-CB 4.23Å; P310-E312 PolarHBondContact O-N 3.44Å; P310-E312 VanDerWaalsContact O-N 3.08Å; E312-Q314 VanDerWaalsContact C-N 3.3Å; E312-Q314 PolarHBondContact O-N 3.03Å; E312-L315 VanDerWaalsContact O-CB 3.28Å; E312-L315 WeakPolarHBondContact O-CB 3.29Å; E312-L315 WeakPolarHBondContact O-CG 3.38Å; E312-L315 PolarHBondContact O-N 2.87Å |
| 313 | L | 89.6 | Confident | 81.2 | Confident | 12 Ų | 12 | 66.9 Ų | 66.9 | 6% | 0.063 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -74.4 | -21.8 | -179.3 | -140 | 77.6 | 0 | 0 | 0 | 112.1 | L291 P309 P310 V311 L315 L316 L344 W347 L348 L351 | L291-L313 HydrophobicContact CD2-CD1 4.2Å; P309-L313 HydrophobicContact CB-CD2 4.32Å; P310-L313 HydrophobicContact CG-CB 4.41Å; P310-L313 VanDerWaalsContact O-CB 3.28Å; P310-L313 WeakPolarHBondContact O-CB 3.35Å; P310-L313 PolarHBondContact O-N 2.9Å; V311-L313 PolarHBondContact O-N 3.18Å; L313-L315 PolarHBondContact O-N 3.35Å; L313-L316 HydrophobicContact CG-CD1 4.05Å; L313-L316 WeakPolarHBondContact O-CB 3.43Å; L313-L316 WeakPolarHBondContact O-CG 3.31Å; L313-L316 PolarHBondContact O-N 2.86Å; L313-L344 HydrophobicContact CD1-CD1 4.43Å; L313-W347 HydrophobicContact CD2-CB 3.74Å; L313-L348 HydrophobicContact CD2-CD2 3.91Å; L313-L348 HydrophobicContact CD2-CG 4.43Å; L313-L348 HydrophobicContact CG-CD2 4.38Å; L313-L351 HydrophobicContact CB-CD2 4.17Å; L313-L351 HydrophobicContact CD2-CD2 4.38Å |
| 314 | Q | 90.8 | Very high | 83.7 | Confident | 64 Ų | 64 | 57.1 Ų | 57.1 | 30% | 0.299 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -68.2 | -21.3 | 173.2 | -74.1 | 76.7 | -6.6 | 0 | 0 | 111.4 | P310 V311 E312 L316 H317 L351 | P310-Q314 PolarHBondContact O-OE1 2.99Å; V311-Q314 PolarHBondContact O-N 3.1Å; V311-Q314 PolarHBondContact O-OE1 2.95Å; E312-Q314 VanDerWaalsContact C-N 3.3Å; E312-Q314 PolarHBondContact O-N 3.03Å; Q314-L316 PolarHBondContact O-N 3.42Å; Q314-L316 VanDerWaalsContact O-N 3.13Å; Q314-H317 WeakPolarHBondContact O-CB 3.24Å; Q314-H317 PolarHBondContact O-CD2 3.39Å; Q314-H317 PolarHBondContact O-N 3.48Å; Q314-H317 VanDerWaalsContact O-N 3.13Å; Q314-L351 HydrophobicContact CG-CD2 4.26Å |
| 315 | L | 90.4 | Very high | 85.9 | Confident | 42 Ų | 42 | 57.6 Ų | 57.6 | 22% | 0.22 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -65.3 | -15.7 | 176.9 | -58 | 173.2 | 0 | 0 | 0 | 112.5 | A283 I284 Q287 E312 L313 H317 E318 | A283-L315 HydrophobicContact CB-CD2 4.35Å; I284-L315 HydrophobicContact CD1-CB 3.33Å; I284-L315 HydrophobicContact CD1-CD1 4.42Å; I284-L315 HydrophobicContact CG1-CB 4.16Å; Q287-L315 HydrophobicContact CB-CD1 3.86Å; Q287-L315 HydrophobicContact CG-CD1 3.71Å; E312-L315 VanDerWaalsContact O-CB 3.28Å; E312-L315 WeakPolarHBondContact O-CB 3.29Å; E312-L315 WeakPolarHBondContact O-CG 3.38Å; E312-L315 PolarHBondContact O-N 2.87Å; L313-L315 PolarHBondContact O-N 3.35Å; L315-H317 PolarHBondContact O-N 2.74Å; L315-H317 VanDerWaalsContact O-N 3.08Å; L315-E318 WeakPolarHBondContact O-CB 3.42Å; L315-E318 PolarHBondContact O-N 3.03Å |
| 316 | L | 91.6 | Very high | 87.9 | Confident | 9 Ų | 9 | 57.4 Ų | 57.4 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -56.7 | -22.6 | 172 | -64.9 | -178.4 | 0 | 0 | 0 | 112.7 | L313 Q314 E318 C319 M324 L327 L348 L351 L355 | L313-L316 HydrophobicContact CG-CD1 4.05Å; L313-L316 WeakPolarHBondContact O-CB 3.43Å; L313-L316 WeakPolarHBondContact O-CG 3.31Å; L313-L316 PolarHBondContact O-N 2.86Å; Q314-L316 PolarHBondContact O-N 3.42Å; Q314-L316 VanDerWaalsContact O-N 3.13Å; L316-E318 VanDerWaalsContact C-N 3.31Å; L316-C319 PolarHBondContact O-N 3.32Å; L316-M324 HydrophobicContact CB-CE 3.74Å; L316-M324 HydrophobicContact CD2-CE 3.88Å; L316-M324 HydrophobicContact CD2-SD 3.96Å; L316-M324 HydrophobicContact CG-CE 4.31Å; L316-M324 WeakPolarHBondContact O-CE 3.39Å; L316-L327 HydrophobicContact CD2-CD2 3.5Å; L316-L348 HydrophobicContact CD1-CD2 3.57Å; L316-L351 HydrophobicContact CD1-CD1 4.25Å; L316-L355 HydrophobicContact CB-CD2 4.33Å |
| 317 | H | 92.1 | Very high | 89.7 | Confident | 57 Ų | 57 | 50 Ų | 50 | 26% | 0.264 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -72.2 | -21.2 | 175 | -65.2 | -61.1 | 0 | 0 | 0 | 114 | Q314 L315 C319 P353 | Q314-H317 WeakPolarHBondContact O-CB 3.24Å; Q314-H317 PolarHBondContact O-CD2 3.39Å; Q314-H317 PolarHBondContact O-N 3.48Å; Q314-H317 VanDerWaalsContact O-N 3.13Å; L315-H317 PolarHBondContact O-N 2.74Å; L315-H317 VanDerWaalsContact O-N 3.08Å; H317-C319 VanDerWaalsContact C-N 3.26Å; H317-C319 PolarHBondContact O-N 3.37Å; H317-P353 PolarHBondContact CE1-O 3.19Å; H317-P353 PolarHBondContact NE2-O 2.81Å |
| 318 | E | 90.8 | Very high | 91.2 | Very high | 126 Ų | 126 | 43.3 Ų | 43.3 | 59% | 0.589 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -78.3 | -13.5 | 176.8 | -60.8 | -61 | 141 | 0 | 0 | 112.4 | P281 L315 L316 | P281-E318 HydrophobicContact CB-CB 4.34Å; P281-E318 HydrophobicContact CG-CB 4.32Å; P281-E318 WeakPolarHBondContact CG-O 3.38Å; L315-E318 WeakPolarHBondContact O-CB 3.42Å; L315-E318 PolarHBondContact O-N 3.03Å; L316-E318 VanDerWaalsContact C-N 3.31Å |
| 319 | C | 91.9 | Very high | 92.1 | Very high | 6 Ų | 6 | 44.9 Ų | 44.9 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | trans | -84.9 | 130.6 | -177.3 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | L316 H317 Q323 M324 N359 | L316-C319 PolarHBondContact O-N 3.32Å; H317-C319 VanDerWaalsContact C-N 3.26Å; H317-C319 PolarHBondContact O-N 3.37Å; C319-Q323 HydrophobicContact CB-CB 4.22Å; C319-M324 HydrophobicContact CB-CB 4.28Å; C319-M324 HydrophobicContact CB-CE 3.86Å; C319-N359 PolarHBondContact O-ND2 3.5Å | ||
| 320 | S | 93.9 | Very high | 92.6 | Very high | 45 Ų | 45 | 47 Ų | 47 | 32% | 0.315 | 26% | 0.259 | S | S | . | . | trans | -65.8 | 163.9 | 157 | 68 | 0 | 0 | 0 | 0 | 110.9 | S322 Q323 M324 | S320-S322 VanDerWaalsContact C-N 3.31Å; S320-S322 PolarHBondContact O-N 3.45Å; S320-Q323 PolarHBondContact O-N 3.14Å; S320-Q323 VanDerWaalsContact O-N 3.12Å; S320-Q323 VanDerWaalsContact OG-CD 3.28Å; S320-Q323 WeakPolarHBondContact OG-CG 3.37Å; S320-Q323 PolarHBondContact OG-N 2.94Å; S320-Q323 PolarHBondContact OG-OE1 3.25Å; S320-M324 WeakPolarHBondContact O-CB 3.38Å; S320-M324 PolarHBondContact O-N 2.66Å | ||
| 321 | P | 94.6 | Very high | 92.9 | Very high | 50 Ų | 50 | 46.7 Ų | 46.7 | 33% | 0.325 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.1 | -38.1 | -179.3 | -26.3 | 36 | 0 | 0 | 0 | 114 | M324 D325 S358 N359 V362 | P321-M324 WeakPolarHBondContact O-CB 3.47Å; P321-M324 PolarHBondContact O-N 3.28Å; P321-D325 PolarHBondContact O-N 2.84Å; P321-D325 VanDerWaalsContact O-N 3.1Å; P321-S358 VanDerWaalsContact CG-CB 3.42Å; P321-N359 WeakPolarHBondContact CA-OD1 3.5Å; P321-V362 HydrophobicContact CB-CG2 4.14Å |
| 322 | S | 93.8 | Very high | 93.2 | Very high | 70 Ų | 70 | 47.7 Ų | 47.7 | 49% | 0.49 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.7 | -39.9 | 176.5 | -49.5 | 0 | 0 | 0 | 0 | 111.6 | L278 S320 M324 D325 L326 | L278-S322 VanDerWaalsContact CD2-C 3.44Å; L278-S322 WeakPolarHBondContact CD2-O 3.38Å; S320-S322 VanDerWaalsContact C-N 3.31Å; S320-S322 PolarHBondContact O-N 3.45Å; S322-M324 VanDerWaalsContact C-N 3.33Å; S322-D325 PolarHBondContact O-N 3.39Å; S322-L326 PolarHBondContact O-N 2.98Å; S322-L326 VanDerWaalsContact O-N 3.16Å |
| 323 | Q | 95.1 | Very high | 93.5 | Very high | 39 Ų | 39 | 46.4 Ų | 46.4 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.7 | -34.9 | 175.9 | -72.6 | 165.3 | -39.8 | 0 | 0 | 111.5 | L278 E279 L280 C319 S320 D325 L326 L327 | L278-Q323 HydrophobicContact CD2-CG 4.17Å; L278-Q323 HydrophobicContact CG-CG 4.2Å; E279-Q323 PolarHBondContact O-NE2 3.39Å; L280-Q323 HydrophobicContact CD2-CB 4.11Å; L280-Q323 VanDerWaalsContact CD2-O 3.25Å; L280-Q323 WeakPolarHBondContact CD2-O 3.49Å; C319-Q323 HydrophobicContact CB-CB 4.22Å; S320-Q323 PolarHBondContact O-N 3.14Å; S320-Q323 VanDerWaalsContact O-N 3.12Å; S320-Q323 VanDerWaalsContact OG-CD 3.28Å; S320-Q323 WeakPolarHBondContact OG-CG 3.37Å; S320-Q323 PolarHBondContact OG-N 2.94Å; S320-Q323 PolarHBondContact OG-OE1 3.25Å; Q323-D325 VanDerWaalsContact C-N 3.3Å; Q323-D325 PolarHBondContact O-N 2.91Å; Q323-L326 PolarHBondContact O-N 3.43Å; Q323-L327 WeakPolarHBondContact O-CB 3.35Å; Q323-L327 PolarHBondContact O-N 3.01Å |
| 324 | M | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 173.6 | -175 | 59.5 | 71.6 | 0 | 0 | 110.9 | L316 C319 S320 P321 S322 L327 C328 N359 V362 L363 | L316-M324 HydrophobicContact CB-CE 3.74Å; L316-M324 HydrophobicContact CD2-CE 3.88Å; L316-M324 HydrophobicContact CD2-SD 3.96Å; L316-M324 HydrophobicContact CG-CE 4.31Å; L316-M324 WeakPolarHBondContact O-CE 3.39Å; C319-M324 HydrophobicContact CB-CB 4.28Å; C319-M324 HydrophobicContact CB-CE 3.86Å; S320-M324 WeakPolarHBondContact O-CB 3.38Å; S320-M324 PolarHBondContact O-N 2.66Å; P321-M324 WeakPolarHBondContact O-CB 3.47Å; P321-M324 PolarHBondContact O-N 3.28Å; S322-M324 VanDerWaalsContact C-N 3.33Å; M324-L327 PolarHBondContact O-N 2.81Å; M324-L327 HydrophobicContact SD-CD2 4.49Å; M324-C328 WeakPolarHBondContact O-CB 3.25Å; M324-C328 PolarHBondContact O-N 3.05Å; M324-C328 PolarHBondContact O-SG 2.8Å; M324-N359 HydrophobicContact CE-CB 4.18Å; M324-N359 HydrophobicContact CG-CB 4.48Å; M324-V362 HydrophobicContact CB-CG1 4.05Å; M324-V362 HydrophobicContact CG-CB 4.21Å; M324-V362 HydrophobicContact CG-CG1 3.83Å; M324-L363 HydrophobicContact CE-CD1 4.38Å; M324-L363 HydrophobicContact CG-CG 4.14Å; M324-L363 HydrophobicContact SD-CD1 4.09Å; M324-L363 HydrophobicContact SD-CD2 4.17Å; M324-L363 HydrophobicContact SD-CG 3.95Å |
| 325 | D | 95.6 | Very high | 93.8 | Very high | 86 Ų | 86 | 52.5 Ų | 52.5 | 46% | 0.46 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 178.6 | -166.5 | 58.2 | 0 | 0 | 0 | 111.8 | P321 S322 Q323 C328 T329 V362 | P321-D325 PolarHBondContact O-N 2.84Å; P321-D325 VanDerWaalsContact O-N 3.1Å; S322-D325 PolarHBondContact O-N 3.39Å; Q323-D325 VanDerWaalsContact C-N 3.3Å; Q323-D325 PolarHBondContact O-N 2.91Å; D325-C328 PolarHBondContact O-N 3.16Å; D325-T329 PolarHBondContact O-N 2.9Å; D325-T329 VanDerWaalsContact O-N 3.09Å; D325-T329 PolarHBondContact O-OG1 2.96Å; D325-V362 HydrophobicContact CB-CG1 3.73Å |
| 326 | L | 95.2 | Very high | 93.9 | Very high | 51 Ų | 51 | 50.9 Ų | 50.9 | 27% | 0.267 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 173.2 | 178.6 | 62 | 0 | 0 | 0 | 111.7 | L278 L280 S322 Q323 T329 Q330 | L278-L326 HydrophobicContact CD2-CB 4.38Å; L278-L326 HydrophobicContact CD2-CD2 4.42Å; L278-L326 WeakPolarHBondContact O-CD2 3.34Å; L280-L326 HydrophobicContact CD2-CB 4.25Å; L280-L326 HydrophobicContact CD2-CD2 4.02Å; L280-L326 HydrophobicContact CD2-CG 4.17Å; L280-L326 HydrophobicContact CG-CD2 3.98Å; L280-L326 HydrophobicContact CG-CG 4.38Å; S322-L326 PolarHBondContact O-N 2.98Å; S322-L326 VanDerWaalsContact O-N 3.16Å; Q323-L326 PolarHBondContact O-N 3.43Å; L326-T329 WeakPolarHBondContact O-CB 3.49Å; L326-T329 PolarHBondContact O-N 3.05Å; L326-Q330 HydrophobicContact CD1-CG 4.37Å; L326-Q330 WeakPolarHBondContact O-CG 3.44Å; L326-Q330 PolarHBondContact O-N 3.46Å |
| 327 | L | 95.6 | Very high | 94 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 178.3 | 178.3 | 61.5 | 0 | 0 | 0 | 111.1 | L280 I284 L288 L316 Q323 M324 T329 Q330 L331 | L280-L327 HydrophobicContact CD1-CD1 4.21Å; L280-L327 HydrophobicContact CD2-CB 3.96Å; I284-L327 HydrophobicContact CD1-CD2 4.15Å; I284-L327 HydrophobicContact CG2-CD1 3.7Å; I284-L327 HydrophobicContact CG2-CD2 4.13Å; I284-L327 HydrophobicContact CG2-CG 4.47Å; L288-L327 HydrophobicContact CD1-CD1 3.64Å; L316-L327 HydrophobicContact CD2-CD2 3.5Å; Q323-L327 WeakPolarHBondContact O-CB 3.35Å; Q323-L327 PolarHBondContact O-N 3.01Å; M324-L327 PolarHBondContact O-N 2.81Å; M324-L327 HydrophobicContact SD-CD2 4.49Å; L327-T329 PolarHBondContact O-N 2.97Å; L327-Q330 PolarHBondContact O-N 3.27Å; L327-Q330 VanDerWaalsContact O-N 3.15Å; L327-L331 HydrophobicContact CD1-CD1 3.87Å; L327-L331 HydrophobicContact CD1-CD2 4.47Å; L327-L331 HydrophobicContact CD1-CG 3.89Å; L327-L331 HydrophobicContact CD2-CD1 4.46Å; L327-L331 HydrophobicContact CG-CD1 3.83Å; L327-L331 HydrophobicContact CG-CG 4.23Å; L327-L331 WeakPolarHBondContact O-CB 3.24Å; L327-L331 VanDerWaalsContact O-CG 3.3Å; L327-L331 WeakPolarHBondContact O-CG 3.38Å; L327-L331 PolarHBondContact O-N 2.8Å |
| 328 | C | 95.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.5 | -39.6 | 177.1 | -71.3 | 0 | 0 | 0 | 0 | 112.1 | M324 D325 Q332 L333 L363 S366 | M324-C328 WeakPolarHBondContact O-CB 3.25Å; M324-C328 PolarHBondContact O-N 3.05Å; M324-C328 PolarHBondContact O-SG 2.8Å; D325-C328 PolarHBondContact O-N 3.16Å; C328-Q332 PolarHBondContact O-N 3.34Å; C328-Q332 VanDerWaalsContact O-N 3.15Å; C328-L333 HydrophobicContact CB-CD1 3.89Å; C328-L333 HydrophobicContact CB-CG 4.41Å; C328-L333 PolarHBondContact O-N 3.47Å; C328-L363 VanDerWaalsContact SG-CD2 3.57Å; C328-S366 WeakPolarHBondContact CB-OG 3.37Å |
| 329 | T | 93.9 | Very high | 94.2 | Very high | 92 Ų | 92 | 49.7 Ų | 49.7 | 56% | 0.564 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -68.7 | -44.9 | 176.2 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | D325 L326 L327 L331 Q332 | D325-T329 PolarHBondContact O-N 2.9Å; D325-T329 VanDerWaalsContact O-N 3.09Å; D325-T329 PolarHBondContact O-OG1 2.96Å; L326-T329 WeakPolarHBondContact O-CB 3.49Å; L326-T329 PolarHBondContact O-N 3.05Å; L327-T329 PolarHBondContact O-N 2.97Å; T329-L331 VanDerWaalsContact C-N 3.29Å; T329-L331 PolarHBondContact O-N 3.02Å; T329-Q332 PolarHBondContact O-N 3.2Å; T329-Q332 VanDerWaalsContact O-N 3.07Å |
| 330 | Q | 93.5 | Very high | 94.2 | Very high | 70 Ų | 70 | 49.4 Ų | 49.4 | 33% | 0.327 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.7 | -29.5 | 177.9 | -70.8 | -174.9 | 9.7 | 0 | 0 | 113.3 | L288 Q292 L326 L327 Q332 | L288-Q330 HydrophobicContact CD1-CB 4.38Å; Q292-Q330 PolarHBondContact NE2-O 3.43Å; Q292-Q330 VanDerWaalsContact NE2-O 3.08Å; L326-Q330 HydrophobicContact CD1-CG 4.37Å; L326-Q330 WeakPolarHBondContact O-CG 3.44Å; L326-Q330 PolarHBondContact O-N 3.46Å; L327-Q330 PolarHBondContact O-N 3.27Å; L327-Q330 VanDerWaalsContact O-N 3.15Å; Q330-Q332 VanDerWaalsContact C-N 3.3Å |
| 331 | L | 93.9 | Very high | 94.3 | Very high | 20 Ų | 20 | 47.2 Ų | 47.2 | 11% | 0.105 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -7.4 | 173.3 | -70.2 | -178.1 | 0 | 0 | 0 | 113.3 | L288 L291 Q292 L295 L327 T329 L333 | L288-L331 HydrophobicContact CD1-CD2 3.76Å; L288-L331 HydrophobicContact CD1-CG 4.31Å; L291-L331 HydrophobicContact CB-CD2 3.72Å; Q292-L331 HydrophobicContact CG-CD2 3.78Å; L295-L331 HydrophobicContact CD1-CB 3.69Å; L295-L331 HydrophobicContact CD1-CD1 4.27Å; L295-L331 HydrophobicContact CD1-CD2 3.97Å; L295-L331 HydrophobicContact CD1-CG 4.18Å; L295-L331 WeakPolarHBondContact CD1-O 3.16Å; L327-L331 HydrophobicContact CD1-CD1 3.87Å; L327-L331 HydrophobicContact CD1-CD2 4.47Å; L327-L331 HydrophobicContact CD1-CG 3.89Å; L327-L331 HydrophobicContact CD2-CD1 4.46Å; L327-L331 HydrophobicContact CG-CD1 3.83Å; L327-L331 HydrophobicContact CG-CG 4.23Å; L327-L331 WeakPolarHBondContact O-CB 3.24Å; L327-L331 VanDerWaalsContact O-CG 3.3Å; L327-L331 WeakPolarHBondContact O-CG 3.38Å; L327-L331 PolarHBondContact O-N 2.8Å; T329-L331 VanDerWaalsContact C-N 3.29Å; T329-L331 PolarHBondContact O-N 3.02Å; L331-L333 HydrophobicContact CB-CD2 3.77Å; L331-L333 HydrophobicContact CB-CG 3.98Å; L331-L333 HydrophobicContact CD1-CD2 4.32Å; L331-L333 PolarHBondContact O-N 2.91Å |
| 332 | Q | 93.9 | Very high | 94.3 | Very high | 127 Ų | 127 | 46.4 Ų | 46.4 | 59% | 0.593 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 35.1 | -178.8 | -54.5 | -179.1 | 6.2 | 0 | 0 | 113.3 | C328 T329 Q330 P334 Q335 | C328-Q332 PolarHBondContact O-N 3.34Å; C328-Q332 VanDerWaalsContact O-N 3.15Å; T329-Q332 PolarHBondContact O-N 3.2Å; T329-Q332 VanDerWaalsContact O-N 3.07Å; Q330-Q332 VanDerWaalsContact C-N 3.3Å; Q332-P334 VanDerWaalsContact C-N 3.27Å; Q332-P334 VanDerWaalsContact O-N 3.13Å; Q332-Q335 HydrophobicContact CB-CB 4.44Å; Q332-Q335 HydrophobicContact CB-CG 4.34Å; Q332-Q335 WeakPolarHBondContact O-CB 3.46Å; Q332-Q335 PolarHBondContact O-N 2.82Å |
| 333 | L | 94.5 | Very high | 94.2 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -52.1 | -35.2 | -179.6 | -56.7 | -174.5 | 0 | 0 | 0 | 114.7 | L295 C328 L331 Q335 L336 L344 L363 L367 R371 | L295-L333 HydrophobicContact CD1-CD2 3.63Å; L295-L333 HydrophobicContact CD2-CD2 4.12Å; C328-L333 HydrophobicContact CB-CD1 3.89Å; C328-L333 HydrophobicContact CB-CG 4.41Å; C328-L333 PolarHBondContact O-N 3.47Å; L331-L333 HydrophobicContact CB-CD2 3.77Å; L331-L333 HydrophobicContact CB-CG 3.98Å; L331-L333 HydrophobicContact CD1-CD2 4.32Å; L331-L333 PolarHBondContact O-N 2.91Å; L333-Q335 PolarHBondContact O-N 3.07Å; L333-Q335 VanDerWaalsContact O-N 3.16Å; L333-L336 HydrophobicContact CD2-CD1 4.07Å; L333-L336 WeakPolarHBondContact O-CG 3.43Å; L333-L336 PolarHBondContact O-N 3.45Å; L333-L344 HydrophobicContact CD2-CD2 3.94Å; L333-L363 HydrophobicContact CD1-CD2 3.92Å; L333-L367 HydrophobicContact CB-CD2 4.11Å; L333-L367 HydrophobicContact CD1-CD2 4.17Å; L333-R371 PolarHBondContact O-NH2 2.78Å |
| 334 | P | 93.9 | Very high | 94.2 | Very high | 57 Ų | 57 | 43.7 Ų | 43.7 | 37% | 0.37 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -61.5 | -20 | 175.1 | -23 | 33.7 | 0 | 0 | 0 | 114.5 | Q332 S366 R371 | Q332-P334 VanDerWaalsContact C-N 3.27Å; Q332-P334 VanDerWaalsContact O-N 3.13Å; P334-S366 WeakPolarHBondContact CG-O 3.33Å; P334-R371 PolarHBondContact O-NH2 2.98Å; P334-R371 VanDerWaalsContact O-NH2 3.07Å |
| 335 | Q | 92.9 | Very high | 94.1 | Very high | 148 Ų | 148 | 43.7 Ų | 43.7 | 69% | 0.692 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -95 | -5.8 | -175.1 | -56.9 | -61.2 | -8.3 | 0 | 0 | 114.5 | Q332 L333 | Q332-Q335 HydrophobicContact CB-CB 4.44Å; Q332-Q335 HydrophobicContact CB-CG 4.34Å; Q332-Q335 WeakPolarHBondContact O-CB 3.46Å; Q332-Q335 PolarHBondContact O-N 2.82Å; L333-Q335 PolarHBondContact O-N 3.07Å; L333-Q335 VanDerWaalsContact O-N 3.16Å |
| 336 | L | 94 | Very high | 94 | Very high | 8 Ų | 8 | 42.5 Ų | 42.5 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -56.1 | 153.2 | -179.9 | -65.3 | 171.8 | 0 | 0 | 0 | 112.4 | L295 E299 L333 L344 R371 | L295-L336 HydrophobicContact CB-CD2 4.28Å; L295-L336 HydrophobicContact CD2-CD1 4.3Å; L295-L336 HydrophobicContact CD2-CD2 4.34Å; E299-L336 HydrophobicContact CG-CD2 4.25Å; E299-L336 WeakPolarHBondContact OE1-CA 3.15Å; L333-L336 HydrophobicContact CD2-CD1 4.07Å; L333-L336 WeakPolarHBondContact O-CG 3.43Å; L333-L336 PolarHBondContact O-N 3.45Å; L336-L344 HydrophobicContact CD1-CD2 3.68Å; L336-R371 VanDerWaalsContact N-NH2 3.12Å; L336-R371 PolarHBondContact O-NH1 2.89Å; L336-R371 PolarHBondContact O-NH2 3.4Å |
| 337 | S | 93.9 | Very high | 93.9 | Very high | 48 Ų | 48 | 41 Ų | 41 | 34% | 0.336 | 22% | 0.217 | S | C | . | . | trans | -67.2 | 160.1 | 166.8 | 72.3 | 0 | 0 | 0 | 0 | 111.3 | L339 G340 L341 | S337-L339 PolarHBondContact O-N 3.15Å; S337-G340 PolarHBondContact O-N 3.03Å; S337-G340 PolarHBondContact OG-N 3.33Å; S337-G340 VanDerWaalsContact OG-N 3.08Å; S337-L341 WeakPolarHBondContact O-CB 3.49Å; S337-L341 PolarHBondContact O-N 2.59Å | ||
| 338 | D | 94.4 | Very high | 93.9 | Very high | 47 Ų | 47 | 41 Ų | 41 | 25% | 0.251 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.3 | -29.6 | 176.6 | -77.1 | -3.6 | 0 | 0 | 0 | 112.4 | L342 R371 S380 L382 | D338-L342 PolarHBondContact O-N 3.17Å; D338-L342 VanDerWaalsContact O-N 3.12Å; D338-R371 IonicContact OD1-NH1 3.45Å; D338-R371 PolarHBondContact OD1-NH1 3.36Å; D338-S380 WeakPolarHBondContact OD2-CB 3.23Å; D338-S380 PolarHBondContact OD2-OG 2.99Å; D338-L382 HydrophobicContact CB-CB 3.82Å; D338-L382 HydrophobicContact CB-CD1 4.17Å |
| 339 | L | 91.9 | Very high | 93.9 | Very high | 71 Ų | 71 | 42.8 Ų | 42.8 | 37% | 0.372 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.5 | -50 | 173.3 | 179.5 | 62.2 | 0 | 0 | 0 | 111.2 | S337 L341 L342 Q343 L382 | S337-L339 PolarHBondContact O-N 3.15Å; L339-L341 VanDerWaalsContact C-N 3.29Å; L339-L341 PolarHBondContact O-N 3.35Å; L339-L342 PolarHBondContact O-N 3.12Å; L339-L342 VanDerWaalsContact O-N 3.17Å; L339-Q343 WeakPolarHBondContact O-CG 3.36Å; L339-Q343 PolarHBondContact O-N 3.41Å; L339-L382 HydrophobicContact CB-CD1 4.35Å |
| 340 | G | 92.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.9 | -36.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S337 Q343 L344 | S337-G340 PolarHBondContact O-N 3.03Å; S337-G340 PolarHBondContact OG-N 3.33Å; S337-G340 VanDerWaalsContact OG-N 3.08Å; G340-Q343 PolarHBondContact O-N 3.4Å; G340-L344 VanDerWaalsContact O-CB 3.28Å; G340-L344 WeakPolarHBondContact O-CB 3.21Å; G340-L344 PolarHBondContact O-N 3.39Å |
| 341 | L | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60 | -47.7 | 172.3 | 173.7 | 64.3 | 0 | 0 | 0 | 111.8 | S337 L339 L344 C345 L367 F368 L383 A386 | S337-L341 WeakPolarHBondContact O-CB 3.49Å; S337-L341 PolarHBondContact O-N 2.59Å; L339-L341 VanDerWaalsContact C-N 3.29Å; L339-L341 PolarHBondContact O-N 3.35Å; L341-L344 PolarHBondContact O-N 2.65Å; L341-C345 WeakPolarHBondContact O-CB 3.41Å; L341-C345 PolarHBondContact O-N 3.41Å; L341-C345 PolarHBondContact O-SG 3.26Å; L341-L367 HydrophobicContact CD1-CB 3.92Å; L341-L367 HydrophobicContact CD1-CD2 3.73Å; L341-L367 HydrophobicContact CD1-CG 4.31Å; L341-F368 HydrophobicContact CD1-CE1 4.07Å; L341-F368 HydrophobicContact CD1-CZ 4.36Å; L341-F368 HydrophobicContact CD2-CD1 4.13Å; L341-F368 HydrophobicContact CD2-CE1 3.91Å; L341-F368 HydrophobicContact CG-CE1 4.24Å; L341-L383 HydrophobicContact CD2-CD1 3.66Å; L341-A386 HydrophobicContact CD2-CB 4.32Å; L341-A386 HydrophobicContact CG-CB 4.11Å |
| 342 | L | 94.2 | Very high | 93.5 | Very high | 33 Ų | 33 | 41.3 Ų | 41.3 | 17% | 0.173 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.9 | -47.5 | 179.6 | 176.8 | 62 | 0 | 0 | 0 | 111.1 | D338 L339 C345 T346 L382 T385 A386 | D338-L342 PolarHBondContact O-N 3.17Å; D338-L342 VanDerWaalsContact O-N 3.12Å; L339-L342 PolarHBondContact O-N 3.12Å; L339-L342 VanDerWaalsContact O-N 3.17Å; L342-C345 WeakPolarHBondContact O-CB 3.5Å; L342-C345 PolarHBondContact O-N 2.88Å; L342-T346 PolarHBondContact O-N 2.97Å; L342-T346 PolarHBondContact O-OG1 3.17Å; L342-L382 HydrophobicContact CD2-CD2 3.74Å; L342-T385 HydrophobicContact CD1-CG2 3.96Å; L342-A386 HydrophobicContact CB-CB 4.15Å; L342-A386 HydrophobicContact CD1-CB 3.89Å |
| 343 | Q | 92.1 | Very high | 93.4 | Very high | 47 Ų | 47 | 39.3 Ų | 39.3 | 22% | 0.22 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.1 | -42.2 | 179.2 | -67.1 | 177.4 | -23 | 0 | 0 | 112 | L298 L339 G340 C345 T346 W347 | L298-Q343 HydrophobicContact CD2-CB 3.53Å; L298-Q343 HydrophobicContact CD2-CG 4.47Å; L298-Q343 PolarHBondContact O-OE1 3.18Å; L339-Q343 WeakPolarHBondContact O-CG 3.36Å; L339-Q343 PolarHBondContact O-N 3.41Å; G340-Q343 PolarHBondContact O-N 3.4Å; Q343-C345 VanDerWaalsContact C-N 3.3Å; Q343-C345 PolarHBondContact O-N 3.35Å; Q343-T346 WeakPolarHBondContact O-CB 3.47Å; Q343-T346 PolarHBondContact O-N 2.89Å; Q343-T346 VanDerWaalsContact O-N 3.14Å; Q343-W347 PolarHBondContact O-N 3.37Å; Q343-W347 VanDerWaalsContact O-N 3.07Å |
| 344 | L | 94.1 | Very high | 93.4 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 173.5 | -179.9 | 60.8 | 0 | 0 | 0 | 111.2 | L295 L298 L313 L333 L336 G340 L341 T346 W347 L348 L367 | L295-L344 HydrophobicContact CD2-CD1 4.19Å; L295-L344 HydrophobicContact CD2-CD2 4.01Å; L298-L344 HydrophobicContact CD1-CB 4.13Å; L298-L344 HydrophobicContact CD1-CD1 4.43Å; L313-L344 HydrophobicContact CD1-CD1 4.43Å; L333-L344 HydrophobicContact CD2-CD2 3.94Å; L336-L344 HydrophobicContact CD1-CD2 3.68Å; G340-L344 VanDerWaalsContact O-CB 3.28Å; G340-L344 WeakPolarHBondContact O-CB 3.21Å; G340-L344 PolarHBondContact O-N 3.39Å; L341-L344 PolarHBondContact O-N 2.65Å; L344-T346 VanDerWaalsContact C-N 3.31Å; L344-T346 PolarHBondContact O-N 3.05Å; L344-W347 PolarHBondContact O-N 2.96Å; L344-L348 HydrophobicContact CD1-CD1 4.36Å; L344-L348 HydrophobicContact CD1-CG 4.2Å; L344-L348 HydrophobicContact CG-CD1 3.98Å; L344-L348 HydrophobicContact CG-CG 4.28Å; L344-L348 WeakPolarHBondContact O-CB 3.48Å; L344-L348 VanDerWaalsContact O-CG 3.26Å; L344-L348 WeakPolarHBondContact O-CG 3.28Å; L344-L348 PolarHBondContact O-N 3.36Å; L344-L367 HydrophobicContact CD2-CD2 3.78Å |
| 345 | C | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.7 | -40.6 | 175.5 | -69.7 | 0 | 0 | 0 | 0 | 111.7 | L341 L342 Q343 W347 L348 L349 F368 F390 | L341-C345 WeakPolarHBondContact O-CB 3.41Å; L341-C345 PolarHBondContact O-N 3.41Å; L341-C345 PolarHBondContact O-SG 3.26Å; L342-C345 WeakPolarHBondContact O-CB 3.5Å; L342-C345 PolarHBondContact O-N 2.88Å; Q343-C345 VanDerWaalsContact C-N 3.3Å; Q343-C345 PolarHBondContact O-N 3.35Å; C345-W347 PolarHBondContact O-N 3.33Å; C345-L348 PolarHBondContact O-N 3.26Å; C345-L349 VanDerWaalsContact O-CB 3.32Å; C345-L349 WeakPolarHBondContact O-CB 3.41Å; C345-L349 WeakPolarHBondContact O-CG 3.46Å; C345-L349 PolarHBondContact O-N 2.98Å; C345-F368 VanDerWaalsContact SG-CZ 3.6Å; C345-F390 HydrophobicContact CB-CD2 4.41Å |
| 346 | T | 92.9 | Very high | 93.5 | Very high | 60 Ų | 60 | 37.1 Ų | 37.1 | 37% | 0.368 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.6 | -47.6 | 174.3 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | L342 Q343 L344 L349 A350 | L342-T346 PolarHBondContact O-N 2.97Å; L342-T346 PolarHBondContact O-OG1 3.17Å; Q343-T346 WeakPolarHBondContact O-CB 3.47Å; Q343-T346 PolarHBondContact O-N 2.89Å; Q343-T346 VanDerWaalsContact O-N 3.14Å; L344-T346 VanDerWaalsContact C-N 3.31Å; L344-T346 PolarHBondContact O-N 3.05Å; T346-L349 WeakPolarHBondContact O-CB 3.28Å; T346-L349 PolarHBondContact O-N 3.04Å; T346-A350 PolarHBondContact O-N 2.86Å; T346-A350 VanDerWaalsContact O-N 3.14Å |
| 347 | W | 93.4 | Very high | 93.5 | Very high | 19 Ų | 19 | 40.3 Ų | 40.3 | 7% | 0.072 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.4 | -43.7 | 176.5 | -72.9 | -12.4 | 0 | 0 | 0 | 112.9 | L298 L305 E306 P309 P310 L313 Q343 L344 C345 L349 A350 L351 | L298-W347 HydrophobicContact CD1-CE3 3.98Å; L298-W347 HydrophobicContact CD1-CH2 4.39Å; L298-W347 HydrophobicContact CD1-CZ3 3.66Å; L298-W347 HydrophobicContact CD2-CD2 4.35Å; L298-W347 HydrophobicContact CD2-CE3 4.04Å; L298-W347 HydrophobicContact CD2-CH2 3.67Å; L298-W347 HydrophobicContact CD2-CZ2 4.01Å; L298-W347 HydrophobicContact CD2-CZ3 3.69Å; L298-W347 HydrophobicContact CG-CE3 4.44Å; L298-W347 HydrophobicContact CG-CH2 4.04Å; L298-W347 HydrophobicContact CG-CZ3 3.82Å; L305-W347 HydrophobicContact CD2-CH2 3.59Å; L305-W347 HydrophobicContact CD2-CZ2 3.28Å; L305-W347 HydrophobicContact CG-CH2 4.39Å; L305-W347 HydrophobicContact CG-CZ2 3.92Å; E306-W347 PolarHBondContact O-NE1 2.95Å; E306-W347 VanDerWaalsContact O-NE1 3.16Å; P309-W347 HydrophobicContact CB-CB 4.07Å; P309-W347 HydrophobicContact CB-CG 4.39Å; P310-W347 HydrophobicContact CG-CE3 4.1Å; P310-W347 HydrophobicContact CG-CH2 4.16Å; P310-W347 HydrophobicContact CG-CZ3 3.88Å; L313-W347 HydrophobicContact CD2-CB 3.74Å; Q343-W347 PolarHBondContact O-N 3.37Å; Q343-W347 VanDerWaalsContact O-N 3.07Å; L344-W347 PolarHBondContact O-N 2.96Å; C345-W347 PolarHBondContact O-N 3.33Å; W347-L349 VanDerWaalsContact C-N 3.26Å; W347-L349 PolarHBondContact O-N 2.95Å; W347-A350 PolarHBondContact O-N 3.42Å; W347-L351 PolarHBondContact O-N 3.22Å |
| 348 | L | 95.2 | Very high | 93.6 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.8 | -32.3 | 177.3 | -68.2 | 174.1 | 0 | 0 | 0 | 112.5 | L313 L316 L344 C345 A350 L351 L367 F390 | L313-L348 HydrophobicContact CD2-CD2 3.91Å; L313-L348 HydrophobicContact CD2-CG 4.43Å; L313-L348 HydrophobicContact CG-CD2 4.38Å; L316-L348 HydrophobicContact CD1-CD2 3.57Å; L344-L348 HydrophobicContact CD1-CD1 4.36Å; L344-L348 HydrophobicContact CD1-CG 4.2Å; L344-L348 HydrophobicContact CG-CD1 3.98Å; L344-L348 HydrophobicContact CG-CG 4.28Å; L344-L348 WeakPolarHBondContact O-CB 3.48Å; L344-L348 VanDerWaalsContact O-CG 3.26Å; L344-L348 WeakPolarHBondContact O-CG 3.28Å; L344-L348 PolarHBondContact O-N 3.36Å; C345-L348 PolarHBondContact O-N 3.26Å; L348-A350 VanDerWaalsContact C-N 3.32Å; L348-L351 HydrophobicContact CD2-CD1 3.85Å; L348-L367 HydrophobicContact CD1-CD1 3.87Å; L348-F390 HydrophobicContact CB-CE2 3.97Å; L348-F390 HydrophobicContact CD1-CE2 4.29Å |
| 349 | L | 94.8 | Very high | 93.7 | Very high | 39 Ų | 39 | 39.1 Ų | 39.1 | 20% | 0.204 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.8 | -29.7 | 173.8 | -76.2 | 171 | 0 | 0 | 0 | 112.2 | C345 T346 W347 F390 K393 Y394 | C345-L349 VanDerWaalsContact O-CB 3.32Å; C345-L349 WeakPolarHBondContact O-CB 3.41Å; C345-L349 WeakPolarHBondContact O-CG 3.46Å; C345-L349 PolarHBondContact O-N 2.98Å; T346-L349 WeakPolarHBondContact O-CB 3.28Å; T346-L349 PolarHBondContact O-N 3.04Å; W347-L349 VanDerWaalsContact C-N 3.26Å; W347-L349 PolarHBondContact O-N 2.95Å; L349-F390 HydrophobicContact CD2-CD2 4.22Å; L349-F390 HydrophobicContact CG-CD2 4.19Å; L349-K393 HydrophobicContact CD2-CB 3.37Å; L349-K393 HydrophobicContact CD2-CD 3.65Å; L349-K393 HydrophobicContact CD2-CG 4.08Å; L349-K393 PolarHBondContact O-NZ 3.29Å; L349-Y394 HydrophobicContact CD2-CD2 4.31Å; L349-Y394 HydrophobicContact CD2-CE2 4.26Å |
| 350 | A | 93.1 | Very high | 94 | Very high | 51 Ų | 51 | 35.7 Ų | 35.7 | 42% | 0.421 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -83.4 | -8.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | P309 T346 W347 L348 | P309-A350 HydrophobicContact CG-CB 3.94Å; T346-A350 PolarHBondContact O-N 2.86Å; T346-A350 VanDerWaalsContact O-N 3.14Å; W347-A350 PolarHBondContact O-N 3.42Å; L348-A350 VanDerWaalsContact C-N 3.32Å |
| 351 | L | 92.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | trans | -58.7 | 140.4 | 176.6 | -72.2 | 177.3 | 0 | 0 | 0 | 112.4 | P309 L313 Q314 L316 W347 L348 P353 L355 K393 | P309-L351 HydrophobicContact CB-CD2 4.23Å; P309-L351 HydrophobicContact CG-CD2 4.4Å; L313-L351 HydrophobicContact CB-CD2 4.17Å; L313-L351 HydrophobicContact CD2-CD2 4.38Å; Q314-L351 HydrophobicContact CG-CD2 4.26Å; L316-L351 HydrophobicContact CD1-CD1 4.25Å; W347-L351 PolarHBondContact O-N 3.22Å; L348-L351 HydrophobicContact CD2-CD1 3.85Å; L351-P353 CarbonylContact C-O 3.57Å; L351-L355 HydrophobicContact CD1-CD2 4.19Å; L351-L355 HydrophobicContact CD1-CG 4.35Å; L351-K393 PolarHBondContact O-NZ 2.93Å | ||
| 352 | S | 88.3 | Confident | 94.3 | Very high | 98 Ų | 98 | 37 Ų | 37 | 69% | 0.685 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -140 | 121.8 | 173.9 | -175.4 | 0 | 0 | 0 | 0 | 109 | ||
| 353 | P | 92.4 | Very high | 94.5 | Very high | 85 Ų | 85 | 35.6 Ų | 35.6 | 55% | 0.552 | 22% | 0.219 | S | C | * | . | S | Bend | cis | -67.9 | 169.3 | 2.2 | 31.1 | -36.3 | 0 | 0 | 0 | 113.4 | H317 L351 | H317-P353 PolarHBondContact CE1-O 3.19Å; H317-P353 PolarHBondContact NE2-O 2.81Å; L351-P353 CarbonylContact C-O 3.57Å |
| 354 | D | 93.1 | Very high | 94.8 | Very high | 95 Ų | 95 | 33.4 Ų | 33.4 | 51% | 0.508 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -64.9 | 151.8 | 174.4 | -66.4 | -16.8 | 0 | 0 | 0 | 111.5 | K393 Y394 | D354-K393 VanDerWaalsContact CG-CE 3.42Å; D354-K393 WeakPolarHBondContact OD1-CE 3.4Å; D354-K393 IonicContact OD1-NZ 2.9Å; D354-K393 PolarHBondContact OD1-NZ 3.49Å; D354-Y394 HydrophobicContact CB-CE1 4.29Å |
| 355 | L | 94.6 | Very high | 95 | Very high | 11 Ų | 11 | 38.1 Ų | 38.1 | 6% | 0.058 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -60.8 | 143.5 | 173.8 | -66.7 | 168.1 | 0 | 0 | 0 | 110.7 | L316 L351 A360 L363 Y394 | L316-L355 HydrophobicContact CB-CD2 4.33Å; L351-L355 HydrophobicContact CD1-CD2 4.19Å; L351-L355 HydrophobicContact CD1-CG 4.35Å; L355-A360 HydrophobicContact CB-CB 4.16Å; L355-L363 HydrophobicContact CD1-CD1 3.54Å; L355-L363 HydrophobicContact CD2-CD1 4.36Å; L355-Y394 HydrophobicContact CB-CE1 3.99Å; L355-Y394 PolarHBondContact N-OH 3.41Å; L355-Y394 VanDerWaalsContact N-OH 3.14Å |
| 356 | S | 94.5 | Very high | 95.1 | Very high | 58 Ų | 58 | 38.8 Ų | 38.8 | 41% | 0.406 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -61.6 | 153.3 | 172.5 | 75.7 | 0 | 0 | 0 | 0 | 110.5 | S358 N359 A360 | S356-S358 PolarHBondContact O-N 3.09Å; S356-N359 PolarHBondContact O-N 3.47Å; S356-N359 WeakPolarHBondContact OG-CB 3.39Å; S356-N359 PolarHBondContact OG-N 3.02Å; S356-A360 WeakPolarHBondContact O-CB 3.19Å; S356-A360 PolarHBondContact O-N 3.27Å |
| 357 | L | 94.8 | Very high | 95.3 | Very high | 75 Ų | 75 | 36 Ų | 36 | 39% | 0.393 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -49.2 | -46.2 | 176.9 | 171.2 | 61.4 | 0 | 0 | 0 | 111.7 | T361 Y396 P397 | L357-T361 WeakPolarHBondContact O-CB 3.28Å; L357-T361 PolarHBondContact O-N 3.29Å; L357-T361 PolarHBondContact O-OG1 3.41Å; L357-T361 VanDerWaalsContact O-OG1 3.08Å; L357-Y396 HydrophobicContact CD1-CD1 3.77Å; L357-Y396 HydrophobicContact CD1-CE1 4.13Å; L357-Y396 HydrophobicContact CD2-CE1 4.24Å; L357-P397 HydrophobicContact CD1-CB 3.97Å; L357-P397 HydrophobicContact CD1-CG 3.57Å |
| 358 | S | 96.1 | Very high | 95.5 | Very high | 63 Ų | 63 | 35 Ų | 35 | 44% | 0.441 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.8 | -45.2 | -178.1 | -55.2 | 0 | 0 | 0 | 0 | 112.5 | P321 S356 T361 V362 | P321-S358 VanDerWaalsContact CG-CB 3.42Å; S356-S358 PolarHBondContact O-N 3.09Å; S358-T361 PolarHBondContact O-N 3.27Å; S358-V362 WeakPolarHBondContact O-CG2 3.48Å; S358-V362 PolarHBondContact O-N 3.1Å |
| 359 | N | 96.6 | Very high | 95.6 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.9 | -39.6 | 179.1 | -72.1 | 1.9 | 0 | 0 | 0 | 111.3 | C319 P321 M324 S356 T361 V362 L363 | C319-N359 PolarHBondContact O-ND2 3.5Å; P321-N359 WeakPolarHBondContact CA-OD1 3.5Å; M324-N359 HydrophobicContact CE-CB 4.18Å; M324-N359 HydrophobicContact CG-CB 4.48Å; S356-N359 PolarHBondContact O-N 3.47Å; S356-N359 WeakPolarHBondContact OG-CB 3.39Å; S356-N359 PolarHBondContact OG-N 3.02Å; N359-T361 VanDerWaalsContact C-N 3.33Å; N359-T361 PolarHBondContact O-N 3.48Å; N359-V362 PolarHBondContact O-N 3.33Å; N359-L363 WeakPolarHBondContact O-CB 3.44Å; N359-L363 PolarHBondContact O-N 3.11Å |
| 360 | A | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.3 | -39 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L355 S356 T364 Y394 P397 | L355-A360 HydrophobicContact CB-CB 4.16Å; S356-A360 WeakPolarHBondContact O-CB 3.19Å; S356-A360 PolarHBondContact O-N 3.27Å; A360-T364 WeakPolarHBondContact O-CB 3.18Å; A360-T364 PolarHBondContact O-N 3.33Å; A360-T364 PolarHBondContact O-OG1 3.39Å; A360-Y394 HydrophobicContact CB-CD1 3.92Å; A360-Y394 HydrophobicContact CB-CE1 4.35Å; A360-Y394 HydrophobicContact CB-CG 4.3Å; A360-P397 HydrophobicContact CB-CB 3.74Å; A360-P397 HydrophobicContact CB-CG 4.05Å |
| 361 | T | 97.7 | Very high | 95.9 | Very high | 11 Ų | 11 | 36 Ų | 36 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.2 | -43.6 | 174 | -70.5 | 0 | 0 | 0 | 0 | 112 | L357 S358 N359 T364 R365 P397 A401 | L357-T361 WeakPolarHBondContact O-CB 3.28Å; L357-T361 PolarHBondContact O-N 3.29Å; L357-T361 PolarHBondContact O-OG1 3.41Å; L357-T361 VanDerWaalsContact O-OG1 3.08Å; S358-T361 PolarHBondContact O-N 3.27Å; N359-T361 VanDerWaalsContact C-N 3.33Å; N359-T361 PolarHBondContact O-N 3.48Å; T361-T364 PolarHBondContact O-N 3.22Å; T361-R365 WeakPolarHBondContact O-CG 3.45Å; T361-R365 PolarHBondContact O-N 2.83Å; T361-R365 VanDerWaalsContact O-N 3.13Å; T361-P397 PolarHBondContact OG1-O 3.46Å; T361-A401 HydrophobicContact CG2-CB 3.94Å |
| 362 | V | 97.9 | Very high | 96.1 | Very high | 17 Ų | 17 | 35.9 Ų | 35.9 | 10% | 0.103 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.2 | -49.7 | 176.8 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | P321 M324 D325 S358 N359 T364 R365 S366 | P321-V362 HydrophobicContact CB-CG2 4.14Å; M324-V362 HydrophobicContact CB-CG1 4.05Å; M324-V362 HydrophobicContact CG-CB 4.21Å; M324-V362 HydrophobicContact CG-CG1 3.83Å; D325-V362 HydrophobicContact CB-CG1 3.73Å; S358-V362 WeakPolarHBondContact O-CG2 3.48Å; S358-V362 PolarHBondContact O-N 3.1Å; N359-V362 PolarHBondContact O-N 3.33Å; V362-T364 VanDerWaalsContact C-N 3.32Å; V362-T364 PolarHBondContact O-N 3.06Å; V362-R365 PolarHBondContact O-N 3.31Å; V362-R365 VanDerWaalsContact O-N 3.12Å; V362-S366 PolarHBondContact O-N 2.92Å |
| 363 | L | 97.8 | Very high | 96.5 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.1 | -43.6 | 176.3 | -84.8 | 165.2 | 0 | 0 | 0 | 111.8 | M324 C328 L333 L355 N359 R365 S366 L367 | M324-L363 HydrophobicContact CE-CD1 4.38Å; M324-L363 HydrophobicContact CG-CG 4.14Å; M324-L363 HydrophobicContact SD-CD1 4.09Å; M324-L363 HydrophobicContact SD-CD2 4.17Å; M324-L363 HydrophobicContact SD-CG 3.95Å; C328-L363 VanDerWaalsContact SG-CD2 3.57Å; L333-L363 HydrophobicContact CD1-CD2 3.92Å; L355-L363 HydrophobicContact CD1-CD1 3.54Å; L355-L363 HydrophobicContact CD2-CD1 4.36Å; N359-L363 WeakPolarHBondContact O-CB 3.44Å; N359-L363 PolarHBondContact O-N 3.11Å; L363-R365 VanDerWaalsContact C-N 3.3Å; L363-R365 PolarHBondContact O-N 2.95Å; L363-S366 PolarHBondContact O-N 2.69Å; L363-L367 HydrophobicContact CB-CD1 4.37Å; L363-L367 VanDerWaalsContact O-CB 3.29Å; L363-L367 WeakPolarHBondContact O-CB 3.02Å; L363-L367 WeakPolarHBondContact O-CG 3.49Å; L363-L367 PolarHBondContact O-N 2.72Å |
| 364 | T | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.6 | -45.2 | 177.1 | -55 | 0 | 0 | 0 | 0 | 111.2 | A360 T361 V362 L367 F368 V398 A401 L402 | A360-T364 WeakPolarHBondContact O-CB 3.18Å; A360-T364 PolarHBondContact O-N 3.33Å; A360-T364 PolarHBondContact O-OG1 3.39Å; T361-T364 PolarHBondContact O-N 3.22Å; V362-T364 VanDerWaalsContact C-N 3.32Å; V362-T364 PolarHBondContact O-N 3.06Å; T364-L367 PolarHBondContact O-N 2.96Å; T364-F368 HydrophobicContact CG2-CD2 3.79Å; T364-F368 HydrophobicContact CG2-CE2 4.48Å; T364-F368 WeakPolarHBondContact O-CD2 3.45Å; T364-F368 PolarHBondContact O-N 3.42Å; T364-V398 HydrophobicContact CG2-CB 4.15Å; T364-V398 HydrophobicContact CG2-CG1 4.02Å; T364-V398 HydrophobicContact CG2-CG2 3.97Å; T364-A401 HydrophobicContact CG2-CB 3.69Å; T364-L402 HydrophobicContact CG2-CD1 3.89Å; T364-L402 HydrophobicContact CG2-CD2 4.05Å; T364-L402 HydrophobicContact CG2-CG 3.77Å |
| 365 | R | 97.6 | Very high | 96.8 | Very high | 104 Ų | 104 | 31.9 Ų | 31.9 | 39% | 0.392 | 19% | 0.187 | S | C | . | . | I | π-helix | trans | -61.4 | -48.1 | 178.1 | -71.1 | -177.8 | -178.4 | 146.7 | -1.6 | 110.9 | T361 V362 L363 L367 L369 A401 | T361-R365 WeakPolarHBondContact O-CG 3.45Å; T361-R365 PolarHBondContact O-N 2.83Å; T361-R365 VanDerWaalsContact O-N 3.13Å; V362-R365 PolarHBondContact O-N 3.31Å; V362-R365 VanDerWaalsContact O-N 3.12Å; L363-R365 VanDerWaalsContact C-N 3.3Å; L363-R365 PolarHBondContact O-N 2.95Å; R365-L367 VanDerWaalsContact C-N 3.33Å; R365-L367 PolarHBondContact O-N 3.22Å; R365-L369 WeakPolarHBondContact O-CB 3.35Å; R365-L369 PolarHBondContact O-N 2.91Å; R365-A401 HydrophobicContact CG-CB 3.88Å; R365-A401 PolarHBondContact NE-O 2.83Å |
| 366 | S | 97.8 | Very high | 96.7 | Very high | 14 Ų | 14 | 38.2 Ų | 38.2 | 10% | 0.098 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -64.6 | -37.1 | -179.5 | -173.9 | 0 | 0 | 0 | 0 | 113.1 | C328 P334 V362 L363 | C328-S366 WeakPolarHBondContact CB-OG 3.37Å; P334-S366 WeakPolarHBondContact CG-O 3.33Å; V362-S366 PolarHBondContact O-N 2.92Å; L363-S366 PolarHBondContact O-N 2.69Å |
| 367 | L | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -78.1 | -41.7 | -175.4 | -70.1 | 169.7 | 0 | 0 | 0 | 112.1 | L333 L341 L344 L348 L363 T364 R365 R371 | L333-L367 HydrophobicContact CB-CD2 4.11Å; L333-L367 HydrophobicContact CD1-CD2 4.17Å; L341-L367 HydrophobicContact CD1-CB 3.92Å; L341-L367 HydrophobicContact CD1-CD2 3.73Å; L341-L367 HydrophobicContact CD1-CG 4.31Å; L344-L367 HydrophobicContact CD2-CD2 3.78Å; L348-L367 HydrophobicContact CD1-CD1 3.87Å; L363-L367 HydrophobicContact CB-CD1 4.37Å; L363-L367 VanDerWaalsContact O-CB 3.29Å; L363-L367 WeakPolarHBondContact O-CB 3.02Å; L363-L367 WeakPolarHBondContact O-CG 3.49Å; L363-L367 PolarHBondContact O-N 2.72Å; T364-L367 PolarHBondContact O-N 2.96Å; R365-L367 VanDerWaalsContact C-N 3.33Å; R365-L367 PolarHBondContact O-N 3.22Å; L367-R371 VanDerWaalsContact O-CD 3.24Å; L367-R371 WeakPolarHBondContact O-CD 3.46Å; L367-R371 PolarHBondContact O-NE 2.67Å |
| 368 | F | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -118.2 | -28.6 | -165 | -56.7 | -73.8 | 0 | 0 | 0 | 114.8 | L341 C345 T364 G370 R371 I372 L383 A386 L387 F390 L402 | L341-F368 HydrophobicContact CD1-CE1 4.07Å; L341-F368 HydrophobicContact CD1-CZ 4.36Å; L341-F368 HydrophobicContact CD2-CD1 4.13Å; L341-F368 HydrophobicContact CD2-CE1 3.91Å; L341-F368 HydrophobicContact CG-CE1 4.24Å; C345-F368 VanDerWaalsContact SG-CZ 3.6Å; T364-F368 HydrophobicContact CG2-CD2 3.79Å; T364-F368 HydrophobicContact CG2-CE2 4.48Å; T364-F368 WeakPolarHBondContact O-CD2 3.45Å; T364-F368 PolarHBondContact O-N 3.42Å; F368-G370 PolarHBondContact O-N 3.35Å; F368-R371 PolarHBondContact O-N 3.15Å; F368-I372 HydrophobicContact CB-CD1 3.99Å; F368-I372 VanDerWaalsContact O-CG1 3.28Å; F368-I372 WeakPolarHBondContact O-CG1 3.27Å; F368-I372 PolarHBondContact O-N 2.93Å; F368-L383 HydrophobicContact CD1-CD1 4.02Å; F368-L383 HydrophobicContact CE1-CD1 4.49Å; F368-A386 HydrophobicContact CE1-CB 4.15Å; F368-L387 HydrophobicContact CB-CD1 4.49Å; F368-L387 HydrophobicContact CD1-CB 4.18Å; F368-L387 HydrophobicContact CD1-CD1 4.1Å; F368-L387 HydrophobicContact CD2-CD1 4.17Å; F368-L387 HydrophobicContact CE1-CB 3.99Å; F368-L387 HydrophobicContact CE1-CD1 4.35Å; F368-L387 HydrophobicContact CE2-CD1 4.42Å; F368-L387 HydrophobicContact CG-CD1 4Å; F368-L387 HydrophobicContact CZ-CD1 4.49Å; F368-F390 HydrophobicContact CE2-CB 4.38Å; F368-F390 AromaticContact CE2-CD1 3.88Å; F368-F390 HydrophobicContact CE2-CD1 3.88Å; F368-F390 HydrophobicContact CE2-CG 4.25Å; F368-F390 HydrophobicContact CZ-CB 4.18Å; F368-F390 HydrophobicContact CZ-CD1 4.49Å; F368-F390 HydrophobicContact CZ-CG 4.43Å; F368-L402 HydrophobicContact CB-CD1 4.37Å; F368-L402 HydrophobicContact CB-CD2 4.16Å |
| 369 | L | 97.6 | Very high | 96.5 | Very high | 32 Ų | 32 | 37.3 Ų | 37.3 | 17% | 0.168 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -62 | -52.7 | -168.5 | 179.1 | 58.9 | 0 | 0 | 0 | 112.1 | R365 R371 I372 L373 L402 P405 V406 | R365-L369 WeakPolarHBondContact O-CB 3.35Å; R365-L369 PolarHBondContact O-N 2.91Å; L369-R371 VanDerWaalsContact C-N 3.27Å; L369-R371 PolarHBondContact O-N 2.9Å; L369-I372 PolarHBondContact O-N 3.43Å; L369-L373 HydrophobicContact CD1-CD1 3.87Å; L369-L373 HydrophobicContact CD1-CG 3.96Å; L369-L373 HydrophobicContact CG-CD1 3.98Å; L369-L373 HydrophobicContact CG-CG 4.42Å; L369-L373 WeakPolarHBondContact O-CB 3.12Å; L369-L373 VanDerWaalsContact O-CG 3.3Å; L369-L373 WeakPolarHBondContact O-CG 3.41Å; L369-L373 PolarHBondContact O-N 3.37Å; L369-L402 HydrophobicContact CB-CD2 4.14Å; L369-L402 HydrophobicContact CD1-CD2 4.38Å; L369-P405 HydrophobicContact CD1-CB 3.76Å; L369-P405 HydrophobicContact CD2-CB 3.88Å; L369-P405 HydrophobicContact CD2-CG 4.38Å; L369-P405 HydrophobicContact CG-CB 4.49Å; L369-V406 HydrophobicContact CD1-CG2 3.62Å |
| 370 | G | 96.3 | Very high | 96.5 | Very high | 41 Ų | 41 | 39.1 Ų | 39.1 | 42% | 0.423 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.9 | -38.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F368 S374 | F368-G370 PolarHBondContact O-N 3.35Å; G370-S374 WeakPolarHBondContact O-CB 3.32Å; G370-S374 PolarHBondContact O-N 2.85Å; G370-S374 PolarHBondContact O-OG 2.85Å |
| 371 | R | 96.6 | Very high | 96.4 | Very high | 38 Ų | 38 | 49.4 Ų | 49.4 | 14% | 0.143 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.8 | -48.6 | 178 | -61.2 | 177.7 | -170.5 | -86.4 | -11.7 | 111.6 | L333 P334 L336 D338 L367 F368 L369 L373 S374 L375 L383 | L333-R371 PolarHBondContact O-NH2 2.78Å; P334-R371 PolarHBondContact O-NH2 2.98Å; P334-R371 VanDerWaalsContact O-NH2 3.07Å; L336-R371 VanDerWaalsContact N-NH2 3.12Å; L336-R371 PolarHBondContact O-NH1 2.89Å; L336-R371 PolarHBondContact O-NH2 3.4Å; D338-R371 IonicContact OD1-NH1 3.45Å; D338-R371 PolarHBondContact OD1-NH1 3.36Å; L367-R371 VanDerWaalsContact O-CD 3.24Å; L367-R371 WeakPolarHBondContact O-CD 3.46Å; L367-R371 PolarHBondContact O-NE 2.67Å; F368-R371 PolarHBondContact O-N 3.15Å; L369-R371 VanDerWaalsContact C-N 3.27Å; L369-R371 PolarHBondContact O-N 2.9Å; R371-L373 PolarHBondContact O-N 3.14Å; R371-S374 PolarHBondContact O-N 3.49Å; R371-S374 VanDerWaalsContact O-N 3.17Å; R371-L375 WeakPolarHBondContact O-CG 3.45Å; R371-L375 PolarHBondContact O-N 2.87Å; R371-L383 HydrophobicContact CB-CD1 4.41Å; R371-L383 HydrophobicContact CB-CD2 4.33Å |
| 372 | I | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 179 | -67.8 | 168.7 | 0 | 0 | 0 | 110.4 | F368 L369 S374 L375 L387 L402 V406 Q416 L419 | F368-I372 HydrophobicContact CB-CD1 3.99Å; F368-I372 VanDerWaalsContact O-CG1 3.28Å; F368-I372 WeakPolarHBondContact O-CG1 3.27Å; F368-I372 PolarHBondContact O-N 2.93Å; L369-I372 PolarHBondContact O-N 3.43Å; I372-S374 PolarHBondContact O-N 3.09Å; I372-L375 WeakPolarHBondContact O-CB 3.44Å; I372-L375 WeakPolarHBondContact O-CG 3.49Å; I372-L375 PolarHBondContact O-N 3.44Å; I372-L387 HydrophobicContact CD1-CD2 4.22Å; I372-L402 HydrophobicContact CD1-CD1 3.79Å; I372-L402 HydrophobicContact CD1-CD2 4.12Å; I372-L402 HydrophobicContact CD1-CG 4.49Å; I372-V406 HydrophobicContact CG2-CG1 4.12Å; I372-V406 HydrophobicContact CG2-CG2 3.93Å; I372-Q416 HydrophobicContact CG2-CB 4.26Å; I372-Q416 HydrophobicContact CG2-CG 3.92Å; I372-Q416 VanDerWaalsContact O-CG 3.24Å; I372-Q416 WeakPolarHBondContact O-CG 3.31Å; I372-Q416 PolarHBondContact O-NE2 3.48Å; I372-Q416 VanDerWaalsContact O-NE2 3.16Å; I372-L419 HydrophobicContact CD1-CD1 4.43Å; I372-L419 HydrophobicContact CG1-CD1 3.97Å; I372-L419 HydrophobicContact CG2-CD1 4.4Å |
| 373 | L | 96.5 | Very high | 96.3 | Very high | 71 Ų | 71 | 51.6 Ų | 51.6 | 37% | 0.372 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.8 | -28.8 | 177.8 | -69.4 | -179.8 | 0 | 0 | 0 | 112.8 | L369 R371 L375 V406 A409 | L369-L373 HydrophobicContact CD1-CD1 3.87Å; L369-L373 HydrophobicContact CD1-CG 3.96Å; L369-L373 HydrophobicContact CG-CD1 3.98Å; L369-L373 HydrophobicContact CG-CG 4.42Å; L369-L373 WeakPolarHBondContact O-CB 3.12Å; L369-L373 VanDerWaalsContact O-CG 3.3Å; L369-L373 WeakPolarHBondContact O-CG 3.41Å; L369-L373 PolarHBondContact O-N 3.37Å; R371-L373 PolarHBondContact O-N 3.14Å; L373-L375 VanDerWaalsContact C-N 3.34Å; L373-V406 HydrophobicContact CD2-CB 4.46Å; L373-V406 HydrophobicContact CD2-CG1 4.5Å; L373-V406 HydrophobicContact CD2-CG2 4.19Å; L373-A409 HydrophobicContact CD2-CB 3.42Å; L373-A409 VanDerWaalsContact CD2-CB 3.42Å |
| 374 | S | 95.6 | Very high | 96.2 | Very high | 94 Ų | 94 | 53.7 Ų | 53.7 | 66% | 0.657 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -1.5 | -179.6 | -54.3 | 0 | 0 | 0 | 0 | 114 | G370 R371 I372 T376 | G370-S374 WeakPolarHBondContact O-CB 3.32Å; G370-S374 PolarHBondContact O-N 2.85Å; G370-S374 PolarHBondContact O-OG 2.85Å; R371-S374 PolarHBondContact O-N 3.49Å; R371-S374 VanDerWaalsContact O-N 3.17Å; I372-S374 PolarHBondContact O-N 3.09Å; S374-T376 PolarHBondContact O-N 3.18Å |
| 375 | L | 96 | Very high | 96.1 | Very high | 29 Ų | 29 | 56.3 Ų | 56.3 | 15% | 0.152 | 32% | 0.319 | C | S | . | . | trans | -67 | 123 | -179.5 | -68.3 | 173.7 | 0 | 0 | 0 | 111.8 | R371 I372 L373 A379 L383 A415 Q416 L419 | R371-L375 WeakPolarHBondContact O-CG 3.45Å; R371-L375 PolarHBondContact O-N 2.87Å; I372-L375 WeakPolarHBondContact O-CB 3.44Å; I372-L375 WeakPolarHBondContact O-CG 3.49Å; I372-L375 PolarHBondContact O-N 3.44Å; L373-L375 VanDerWaalsContact C-N 3.34Å; L375-A379 HydrophobicContact CD1-CB 4.03Å; L375-A379 HydrophobicContact CD2-CB 4.29Å; L375-L383 HydrophobicContact CD2-CD2 4.22Å; L375-A415 HydrophobicContact CB-CB 4.14Å; L375-Q416 PolarHBondContact O-NE2 3.14Å; L375-L419 HydrophobicContact CD1-CD1 3.65Å | ||
| 376 | T | 92.8 | Very high | 96.1 | Very high | 144 Ų | 144 | 51.4 Ų | 51.4 | 88% | 0.883 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -102.8 | -13.1 | 169.2 | 55.8 | 0 | 0 | 0 | 0 | 112.8 | S374 | S374-T376 PolarHBondContact O-N 3.18Š|
| 377 | S | 93.4 | Very high | 96.1 | Very high | 77 Ų | 77 | 50.8 Ų | 50.8 | 54% | 0.538 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -139.6 | 176.4 | 177.2 | 60.2 | 0 | 0 | 0 | 0 | 109.5 | A415 | S377-A415 VanDerWaalsContact O-CB 3.24Å; S377-A415 WeakPolarHBondContact O-CB 3.38Å |
| 378 | S | 92.9 | Very high | 96 | Very high | 82 Ų | 82 | 54.1 Ų | 54.1 | 57% | 0.573 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -50.2 | 142.7 | 172.5 | -58 | 0 | 0 | 0 | 0 | 111.3 | ||
| 379 | A | 94.6 | Very high | 95.9 | Very high | 19 Ų | 19 | 55.9 Ų | 55.9 | 16% | 0.157 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 148.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L375 L383 L419 | L375-A379 HydrophobicContact CD1-CB 4.03Å; L375-A379 HydrophobicContact CD2-CB 4.29Å; A379-L383 HydrophobicContact CB-CD2 3.98Å; A379-L383 HydrophobicContact CB-CG 4.37Å; A379-L419 HydrophobicContact CB-CD1 4.03Å; A379-L419 HydrophobicContact CB-CD2 4.19Å; A379-L419 HydrophobicContact CB-CG 4.49Å |
| 380 | S | 96.1 | Very high | 95.9 | Very high | 45 Ų | 45 | 54.4 Ų | 54.4 | 32% | 0.315 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 155.2 | 174.1 | 79.2 | 0 | 0 | 0 | 0 | 110.8 | D338 L382 L383 T384 | D338-S380 WeakPolarHBondContact OD2-CB 3.23Å; D338-S380 PolarHBondContact OD2-OG 2.99Å; S380-L382 PolarHBondContact O-N 3.23Å; S380-L383 PolarHBondContact O-N 3.5Å; S380-L383 VanDerWaalsContact OG-CB 3.31Å; S380-L383 WeakPolarHBondContact OG-CB 3.46Å; S380-L383 PolarHBondContact OG-N 3.25Å; S380-T384 WeakPolarHBondContact O-CB 3.36Å; S380-T384 PolarHBondContact O-N 3.43Å; S380-T384 PolarHBondContact O-OG1 3.1Å |
| 381 | R | 95.9 | Very high | 96 | Very high | 215 Ų | 215 | 52.6 Ų | 52.6 | 81% | 0.811 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -57.4 | -39.3 | 175.1 | -178 | 179.3 | 171.4 | -171.9 | -1.3 | 111.5 | T385 | R381-T385 VanDerWaalsContact O-CB 3.32Å; R381-T385 WeakPolarHBondContact O-CB 3.44Å; R381-T385 PolarHBondContact O-N 3.12Å; R381-T385 PolarHBondContact O-OG1 3.27Å |
| 382 | L | 95.7 | Very high | 95.9 | Very high | 69 Ų | 69 | 53.8 Ų | 53.8 | 36% | 0.361 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.9 | -47.6 | 179.8 | -67.9 | 177.4 | 0 | 0 | 0 | 111.6 | D338 L339 L342 S380 T384 T385 A386 | D338-L382 HydrophobicContact CB-CB 3.82Å; D338-L382 HydrophobicContact CB-CD1 4.17Å; L339-L382 HydrophobicContact CB-CD1 4.35Å; L342-L382 HydrophobicContact CD2-CD2 3.74Å; S380-L382 PolarHBondContact O-N 3.23Å; L382-T384 VanDerWaalsContact C-N 3.32Å; L382-T384 PolarHBondContact O-N 2.94Å; L382-T385 PolarHBondContact O-N 3.39Å; L382-A386 WeakPolarHBondContact O-CB 3.29Å; L382-A386 PolarHBondContact O-N 3.07Å |
| 383 | L | 96.8 | Very high | 95.8 | Very high | 5 Ų | 5 | 57.5 Ų | 57.5 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 176 | 177.5 | 59 | 0 | 0 | 0 | 111.4 | L341 F368 R371 L375 A379 S380 A386 L387 | L341-L383 HydrophobicContact CD2-CD1 3.66Å; F368-L383 HydrophobicContact CD1-CD1 4.02Å; F368-L383 HydrophobicContact CE1-CD1 4.49Å; R371-L383 HydrophobicContact CB-CD1 4.41Å; R371-L383 HydrophobicContact CB-CD2 4.33Å; L375-L383 HydrophobicContact CD2-CD2 4.22Å; A379-L383 HydrophobicContact CB-CD2 3.98Å; A379-L383 HydrophobicContact CB-CG 4.37Å; S380-L383 PolarHBondContact O-N 3.5Å; S380-L383 VanDerWaalsContact OG-CB 3.31Å; S380-L383 WeakPolarHBondContact OG-CB 3.46Å; S380-L383 PolarHBondContact OG-N 3.25Å; L383-A386 PolarHBondContact O-N 3.31Å; L383-L387 VanDerWaalsContact O-CB 3.29Å; L383-L387 WeakPolarHBondContact O-CB 3.36Å; L383-L387 PolarHBondContact O-N 2.96Å |
| 384 | T | 96.7 | Very high | 95.8 | Very high | 47 Ų | 47 | 54.6 Ų | 54.6 | 29% | 0.288 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 177.8 | -56 | 0 | 0 | 0 | 0 | 111.3 | S380 L382 L387 T388 | S380-T384 WeakPolarHBondContact O-CB 3.36Å; S380-T384 PolarHBondContact O-N 3.43Å; S380-T384 PolarHBondContact O-OG1 3.1Å; L382-T384 VanDerWaalsContact C-N 3.32Å; L382-T384 PolarHBondContact O-N 2.94Å; T384-L387 PolarHBondContact O-N 3.34Å; T384-T388 HydrophobicContact CG2-CG2 4.3Å; T384-T388 WeakPolarHBondContact O-CB 3.26Å; T384-T388 VanDerWaalsContact O-CG2 3.29Å; T384-T388 WeakPolarHBondContact O-CG2 3.34Å; T384-T388 PolarHBondContact O-N 3.4Å; T384-T388 PolarHBondContact O-OG1 3.36Å |
| 385 | T | 96.6 | Very high | 95.9 | Very high | 56 Ų | 56 | 50.7 Ų | 50.7 | 34% | 0.344 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.3 | -43.3 | 178.7 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | L342 R381 L382 T388 S389 | L342-T385 HydrophobicContact CD1-CG2 3.96Å; R381-T385 VanDerWaalsContact O-CB 3.32Å; R381-T385 WeakPolarHBondContact O-CB 3.44Å; R381-T385 PolarHBondContact O-N 3.12Å; R381-T385 PolarHBondContact O-OG1 3.27Å; L382-T385 PolarHBondContact O-N 3.39Å; T385-T388 PolarHBondContact O-OG1 2.84Å; T385-S389 VanDerWaalsContact O-CB 3.26Å; T385-S389 WeakPolarHBondContact O-CB 3.36Å; T385-S389 PolarHBondContact O-N 3.09Å; T385-S389 PolarHBondContact O-OG 3.16Å |
| 386 | A | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L341 L342 F368 L382 L383 S389 F390 | L341-A386 HydrophobicContact CD2-CB 4.32Å; L341-A386 HydrophobicContact CG-CB 4.11Å; L342-A386 HydrophobicContact CB-CB 4.15Å; L342-A386 HydrophobicContact CD1-CB 3.89Å; F368-A386 HydrophobicContact CE1-CB 4.15Å; L382-A386 WeakPolarHBondContact O-CB 3.29Å; L382-A386 PolarHBondContact O-N 3.07Å; L383-A386 PolarHBondContact O-N 3.31Å; A386-S389 PolarHBondContact O-OG 3.48Å; A386-S389 VanDerWaalsContact O-OG 3.07Å; A386-F390 WeakPolarHBondContact O-CB 3.32Å; A386-F390 PolarHBondContact O-N 3.43Å |
| 387 | L | 97.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -47.4 | 179.6 | 177.2 | 62.3 | 0 | 0 | 0 | 112.2 | F368 I372 L383 T384 C391 V398 L402 L419 L423 | F368-L387 HydrophobicContact CB-CD1 4.49Å; F368-L387 HydrophobicContact CD1-CB 4.18Å; F368-L387 HydrophobicContact CD1-CD1 4.1Å; F368-L387 HydrophobicContact CD2-CD1 4.17Å; F368-L387 HydrophobicContact CE1-CB 3.99Å; F368-L387 HydrophobicContact CE1-CD1 4.35Å; F368-L387 HydrophobicContact CE2-CD1 4.42Å; F368-L387 HydrophobicContact CG-CD1 4Å; F368-L387 HydrophobicContact CZ-CD1 4.49Å; I372-L387 HydrophobicContact CD1-CD2 4.22Å; L383-L387 VanDerWaalsContact O-CB 3.29Å; L383-L387 WeakPolarHBondContact O-CB 3.36Å; L383-L387 PolarHBondContact O-N 2.96Å; T384-L387 PolarHBondContact O-N 3.34Å; L387-C391 WeakPolarHBondContact O-CB 3.43Å; L387-C391 PolarHBondContact O-N 3.09Å; L387-V398 HydrophobicContact CD1-CG1 3.89Å; L387-L402 HydrophobicContact CD1-CD1 3.77Å; L387-L419 HydrophobicContact CD2-CD1 4.41Å; L387-L419 HydrophobicContact CD2-CD2 4.31Å; L387-L423 HydrophobicContact CD1-CD2 4.24Å; L387-L423 HydrophobicContact CD2-CD1 4.39Å; L387-L423 HydrophobicContact CD2-CD2 4.32Å; L387-L423 HydrophobicContact CG-CD2 4.1Å |
| 388 | T | 96.3 | Very high | 96.3 | Very high | 70 Ų | 70 | 41.8 Ų | 41.8 | 43% | 0.429 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -71.1 | -39.5 | -176.4 | 52.2 | 0 | 0 | 0 | 0 | 112.4 | T384 T385 C391 A392 | T384-T388 HydrophobicContact CG2-CG2 4.3Å; T384-T388 WeakPolarHBondContact O-CB 3.26Å; T384-T388 VanDerWaalsContact O-CG2 3.29Å; T384-T388 WeakPolarHBondContact O-CG2 3.34Å; T384-T388 PolarHBondContact O-N 3.4Å; T384-T388 PolarHBondContact O-OG1 3.36Å; T385-T388 PolarHBondContact O-OG1 2.84Å; T388-C391 PolarHBondContact O-N 3.07Å; T388-A392 PolarHBondContact O-N 2.91Å |
| 389 | S | 96 | Very high | 96.4 | Very high | 38 Ų | 38 | 38 Ų | 38 | 27% | 0.266 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.7 | -43.7 | 173.5 | 59.5 | 0 | 0 | 0 | 0 | 111.8 | T385 A386 C391 A392 | T385-S389 VanDerWaalsContact O-CB 3.26Å; T385-S389 WeakPolarHBondContact O-CB 3.36Å; T385-S389 PolarHBondContact O-N 3.09Å; T385-S389 PolarHBondContact O-OG 3.16Å; A386-S389 PolarHBondContact O-OG 3.48Å; A386-S389 VanDerWaalsContact O-OG 3.07Å; S389-C391 VanDerWaalsContact C-N 3.35Å; S389-C391 PolarHBondContact O-N 3.41Å; S389-A392 WeakPolarHBondContact O-CB 3.43Å; S389-A392 PolarHBondContact O-N 3.38Å |
| 390 | F | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.1 | -41.3 | 176 | -164.3 | -103.8 | 0 | 0 | 0 | 111.7 | C345 L348 L349 F368 A386 A392 K393 Y394 V398 | C345-F390 HydrophobicContact CB-CD2 4.41Å; L348-F390 HydrophobicContact CB-CE2 3.97Å; L348-F390 HydrophobicContact CD1-CE2 4.29Å; L349-F390 HydrophobicContact CD2-CD2 4.22Å; L349-F390 HydrophobicContact CG-CD2 4.19Å; F368-F390 HydrophobicContact CE2-CB 4.38Å; F368-F390 AromaticContact CE2-CD1 3.88Å; F368-F390 HydrophobicContact CE2-CD1 3.88Å; F368-F390 HydrophobicContact CE2-CG 4.25Å; F368-F390 HydrophobicContact CZ-CB 4.18Å; F368-F390 HydrophobicContact CZ-CD1 4.49Å; F368-F390 HydrophobicContact CZ-CG 4.43Å; A386-F390 WeakPolarHBondContact O-CB 3.32Å; A386-F390 PolarHBondContact O-N 3.43Å; F390-A392 VanDerWaalsContact C-N 3.31Å; F390-A392 PolarHBondContact O-N 3.46Å; F390-K393 PolarHBondContact O-N 3.23Å; F390-Y394 HydrophobicContact CD1-CD2 4.4Å; F390-Y394 HydrophobicContact CD2-CD2 4.05Å; F390-Y394 HydrophobicContact CD2-CE2 4.47Å; F390-Y394 AromaticContact CE1-CD2 3.97Å; F390-Y394 HydrophobicContact CE1-CD2 3.97Å; F390-Y394 HydrophobicContact CE1-CG 4.4Å; F390-Y394 AromaticContact CE2-CD2 3.59Å; F390-Y394 HydrophobicContact CE2-CD2 3.59Å; F390-Y394 AromaticContact CE2-CE2 3.79Å; F390-Y394 HydrophobicContact CE2-CE2 3.79Å; F390-Y394 HydrophobicContact CG-CD2 4.43Å; F390-Y394 AromaticContact CZ-CD2 3.55Å; F390-Y394 HydrophobicContact CZ-CD2 3.55Å; F390-Y394 AromaticContact CZ-CE2 4Å; F390-Y394 HydrophobicContact CZ-CE2 4Å; F390-Y394 HydrophobicContact CZ-CG 4.26Å; F390-Y394 PolarHBondContact O-N 2.93Å; F390-V398 HydrophobicContact CD1-CG2 3.56Å; F390-V398 HydrophobicContact CE1-CG2 3.94Å |
| 391 | C | 97.1 | Very high | 96.5 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 3% | 0.027 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64 | -31.5 | 174.9 | -171.3 | 0 | 0 | 0 | 0 | 112.8 | L387 T388 S389 K393 T395 V398 L423 | L387-C391 WeakPolarHBondContact O-CB 3.43Å; L387-C391 PolarHBondContact O-N 3.09Å; T388-C391 PolarHBondContact O-N 3.07Å; S389-C391 VanDerWaalsContact C-N 3.35Å; S389-C391 PolarHBondContact O-N 3.41Å; C391-K393 PolarHBondContact O-N 2.79Å; C391-T395 WeakPolarHBondContact O-CA 3.5Å; C391-T395 WeakPolarHBondContact O-CB 3.46Å; C391-T395 PolarHBondContact O-N 2.99Å; C391-T395 PolarHBondContact O-OG1 3.05Å; C391-V398 HydrophobicContact CB-CB 4.37Å; C391-V398 HydrophobicContact CB-CG1 4.09Å; C391-V398 HydrophobicContact CB-CG2 4.45Å; C391-L423 HydrophobicContact CB-CD2 3.86Å; C391-L423 WeakPolarHBondContact SG-CD2 3.48Å |
| 392 | A | 95.6 | Very high | 96.6 | Very high | 63 Ų | 63 | 29.5 Ų | 29.5 | 52% | 0.521 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.4 | -34.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T388 S389 F390 | T388-A392 PolarHBondContact O-N 2.91Å; S389-A392 WeakPolarHBondContact O-CB 3.43Å; S389-A392 PolarHBondContact O-N 3.38Å; F390-A392 VanDerWaalsContact C-N 3.31Å; F390-A392 PolarHBondContact O-N 3.46Å |
| 393 | K | 94.8 | Very high | 96.5 | Very high | 77 Ų | 77 | 26.4 Ų | 26.4 | 34% | 0.335 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -92.1 | -42.4 | 176.1 | -171.9 | 173.2 | 179.3 | 179.2 | 0 | 112.8 | L349 L351 D354 F390 C391 | L349-K393 HydrophobicContact CD2-CB 3.37Å; L349-K393 HydrophobicContact CD2-CD 3.65Å; L349-K393 HydrophobicContact CD2-CG 4.08Å; L349-K393 PolarHBondContact O-NZ 3.29Å; L351-K393 PolarHBondContact O-NZ 2.93Å; D354-K393 VanDerWaalsContact CG-CE 3.42Å; D354-K393 WeakPolarHBondContact OD1-CE 3.4Å; D354-K393 IonicContact OD1-NZ 2.9Å; D354-K393 PolarHBondContact OD1-NZ 3.49Å; F390-K393 PolarHBondContact O-N 3.23Å; C391-K393 PolarHBondContact O-N 2.79Å |
| 394 | Y | 96.8 | Very high | 96.4 | Very high | 11 Ų | 11 | 28 Ų | 28 | 4% | 0.043 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -110.1 | 43.3 | -174 | -62.7 | -70.8 | 0 | 0 | 0 | 112.5 | L349 D354 L355 A360 F390 Y396 P397 V398 | L349-Y394 HydrophobicContact CD2-CD2 4.31Å; L349-Y394 HydrophobicContact CD2-CE2 4.26Å; D354-Y394 HydrophobicContact CB-CE1 4.29Å; L355-Y394 HydrophobicContact CB-CE1 3.99Å; L355-Y394 PolarHBondContact N-OH 3.41Å; L355-Y394 VanDerWaalsContact N-OH 3.14Å; A360-Y394 HydrophobicContact CB-CD1 3.92Å; A360-Y394 HydrophobicContact CB-CE1 4.35Å; A360-Y394 HydrophobicContact CB-CG 4.3Å; F390-Y394 HydrophobicContact CD1-CD2 4.4Å; F390-Y394 HydrophobicContact CD2-CD2 4.05Å; F390-Y394 HydrophobicContact CD2-CE2 4.47Å; F390-Y394 AromaticContact CE1-CD2 3.97Å; F390-Y394 HydrophobicContact CE1-CD2 3.97Å; F390-Y394 HydrophobicContact CE1-CG 4.4Å; F390-Y394 AromaticContact CE2-CD2 3.59Å; F390-Y394 HydrophobicContact CE2-CD2 3.59Å; F390-Y394 AromaticContact CE2-CE2 3.79Å; F390-Y394 HydrophobicContact CE2-CE2 3.79Å; F390-Y394 HydrophobicContact CG-CD2 4.43Å; F390-Y394 AromaticContact CZ-CD2 3.55Å; F390-Y394 HydrophobicContact CZ-CD2 3.55Å; F390-Y394 AromaticContact CZ-CE2 4Å; F390-Y394 HydrophobicContact CZ-CE2 4Å; F390-Y394 HydrophobicContact CZ-CG 4.26Å; F390-Y394 PolarHBondContact O-N 2.93Å; Y394-Y396 PolarHBondContact O-N 3.38Å; Y394-P397 HydrophobicContact CD1-CG 4.45Å; Y394-P397 WeakPolarHBondContact O-CD 3.39Å; Y394-V398 WeakPolarHBondContact O-CB 3.31Å; Y394-V398 VanDerWaalsContact O-CG2 3.27Å; Y394-V398 WeakPolarHBondContact O-CG2 3.48Å; Y394-V398 PolarHBondContact O-N 3.01Å |
| 395 | T | 96.4 | Very high | 96.3 | Very high | 12 Ų | 12 | 27.5 Ų | 27.5 | 7% | 0.074 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -52.3 | -55.7 | -167.8 | -30.4 | 0 | 0 | 0 | 0 | 114.1 | C391 V398 C399 A426 S428 L429 | C391-T395 WeakPolarHBondContact O-CA 3.5Å; C391-T395 WeakPolarHBondContact O-CB 3.46Å; C391-T395 PolarHBondContact O-N 2.99Å; C391-T395 PolarHBondContact O-OG1 3.05Å; T395-V398 PolarHBondContact O-N 3.41Å; T395-C399 WeakPolarHBondContact O-CB 3.35Å; T395-C399 PolarHBondContact O-N 3.15Å; T395-C399 PolarHBondContact O-SG 3.15Å; T395-A426 HydrophobicContact CG2-CB 4.04Å; T395-S428 VanDerWaalsContact CG2-OG 3.31Å; T395-S428 WeakPolarHBondContact CG2-OG 3.28Å; T395-S428 VanDerWaalsContact OG1-CB 3.27Å; T395-S428 WeakPolarHBondContact OG1-CB 3.35Å; T395-S428 PolarHBondContact OG1-O 3.03Å; T395-S428 PolarHBondContact OG1-OG 3.37Å; T395-L429 HydrophobicContact CG2-CB 3.79Å; T395-L429 HydrophobicContact CG2-CD1 3.96Å; T395-L429 HydrophobicContact CG2-CG 4.47Å |
| 396 | Y | 96 | Very high | 96.3 | Very high | 46 Ų | 46 | 24.9 Ų | 24.9 | 18% | 0.18 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.7 | -47 | -179.1 | 178.5 | -114.5 | 0 | 0 | 0 | 112.8 | L357 Y394 V398 C399 R400 A433 L436 M437 | L357-Y396 HydrophobicContact CD1-CD1 3.77Å; L357-Y396 HydrophobicContact CD1-CE1 4.13Å; L357-Y396 HydrophobicContact CD2-CE1 4.24Å; Y394-Y396 PolarHBondContact O-N 3.38Å; Y396-V398 PolarHBondContact O-N 3.42Å; Y396-C399 PolarHBondContact O-N 3.41Å; Y396-R400 HydrophobicContact CE2-CB 4.46Å; Y396-R400 VanDerWaalsContact O-CB 3.23Å; Y396-R400 WeakPolarHBondContact O-CB 3.21Å; Y396-R400 PolarHBondContact O-N 3.07Å; Y396-A433 HydrophobicContact CD2-CB 3.65Å; Y396-A433 HydrophobicContact CE2-CB 4.36Å; Y396-A433 HydrophobicContact CG-CB 4.04Å; Y396-L436 HydrophobicContact CE1-CD1 4.45Å; Y396-L436 HydrophobicContact CE2-CB 4.02Å; Y396-L436 HydrophobicContact CE2-CD1 4.18Å; Y396-L436 WeakPolarHBondContact OH-CD1 3.27Å; Y396-M437 HydrophobicContact CD2-CG 4.45Å; Y396-M437 HydrophobicContact CD2-SD 4.06Å; Y396-M437 HydrophobicContact CE2-CG 4.41Å; Y396-M437 HydrophobicContact CE2-SD 3.88Å |
| 397 | P | 97 | Very high | 96.2 | Very high | 16 Ų | 16 | 25 Ų | 25 | 10% | 0.104 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -51 | -42.9 | 171.5 | -20.2 | 19.2 | 0 | 0 | 0 | 113.5 | L357 A360 T361 Y394 A401 | L357-P397 HydrophobicContact CD1-CB 3.97Å; L357-P397 HydrophobicContact CD1-CG 3.57Å; A360-P397 HydrophobicContact CB-CB 3.74Å; A360-P397 HydrophobicContact CB-CG 4.05Å; T361-P397 PolarHBondContact OG1-O 3.46Å; Y394-P397 HydrophobicContact CD1-CG 4.45Å; Y394-P397 WeakPolarHBondContact O-CD 3.39Å; P397-A401 WeakPolarHBondContact O-CB 3.49Å; P397-A401 PolarHBondContact O-N 3.31Å |
| 398 | V | 98 | Very high | 96 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.2 | -51.3 | -178.8 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | T364 L387 F390 C391 Y394 T395 Y396 R400 A401 L402 L423 | T364-V398 HydrophobicContact CG2-CB 4.15Å; T364-V398 HydrophobicContact CG2-CG1 4.02Å; T364-V398 HydrophobicContact CG2-CG2 3.97Å; L387-V398 HydrophobicContact CD1-CG1 3.89Å; F390-V398 HydrophobicContact CD1-CG2 3.56Å; F390-V398 HydrophobicContact CE1-CG2 3.94Å; C391-V398 HydrophobicContact CB-CB 4.37Å; C391-V398 HydrophobicContact CB-CG1 4.09Å; C391-V398 HydrophobicContact CB-CG2 4.45Å; Y394-V398 WeakPolarHBondContact O-CB 3.31Å; Y394-V398 VanDerWaalsContact O-CG2 3.27Å; Y394-V398 WeakPolarHBondContact O-CG2 3.48Å; Y394-V398 PolarHBondContact O-N 3.01Å; T395-V398 PolarHBondContact O-N 3.41Å; Y396-V398 PolarHBondContact O-N 3.42Å; V398-R400 VanDerWaalsContact C-N 3.34Å; V398-R400 PolarHBondContact O-N 3.38Å; V398-A401 PolarHBondContact O-N 3.37Å; V398-L402 HydrophobicContact CG1-CD1 3.86Å; V398-L402 WeakPolarHBondContact O-CG 3.25Å; V398-L402 PolarHBondContact O-N 2.99Å; V398-L402 VanDerWaalsContact O-N 3.15Å; V398-L423 HydrophobicContact CG1-CD1 4.27Å; V398-L423 HydrophobicContact CG1-CD2 3.98Å |
| 399 | C | 96.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.02 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.7 | -48.3 | 178.1 | -67.5 | 0 | 0 | 0 | 0 | 110.8 | T395 Y396 A401 L402 L403 M437 | T395-C399 WeakPolarHBondContact O-CB 3.35Å; T395-C399 PolarHBondContact O-N 3.15Å; T395-C399 PolarHBondContact O-SG 3.15Å; Y396-C399 PolarHBondContact O-N 3.41Å; C399-A401 VanDerWaalsContact C-N 3.32Å; C399-A401 PolarHBondContact O-N 2.97Å; C399-L402 PolarHBondContact O-N 3.33Å; C399-L403 WeakPolarHBondContact O-CB 3.46Å; C399-L403 PolarHBondContact O-N 3Å; C399-M437 HydrophobicContact CB-CE 3.74Å; C399-M437 HydrophobicContact CB-CG 4.4Å; C399-M437 HydrophobicContact CB-SD 3.72Å |
| 400 | R | 94.8 | Very high | 95.4 | Very high | 101 Ų | 101 | 36.2 Ų | 36.2 | 38% | 0.381 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63 | -36.6 | 179.4 | -178.9 | 178.5 | 178.8 | 173.1 | 1.6 | 112.9 | Y396 V398 M437 | Y396-R400 HydrophobicContact CE2-CB 4.46Å; Y396-R400 VanDerWaalsContact O-CB 3.23Å; Y396-R400 WeakPolarHBondContact O-CB 3.21Å; Y396-R400 PolarHBondContact O-N 3.07Å; V398-R400 VanDerWaalsContact C-N 3.34Å; V398-R400 PolarHBondContact O-N 3.38Å; R400-M437 HydrophobicContact CB-SD 4.44Å |
| 401 | A | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68 | -38.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T361 T364 R365 P397 V398 C399 P405 | T361-A401 HydrophobicContact CG2-CB 3.94Å; T364-A401 HydrophobicContact CG2-CB 3.69Å; R365-A401 HydrophobicContact CG-CB 3.88Å; R365-A401 PolarHBondContact NE-O 2.83Å; P397-A401 WeakPolarHBondContact O-CB 3.49Å; P397-A401 PolarHBondContact O-N 3.31Å; V398-A401 PolarHBondContact O-N 3.37Å; C399-A401 VanDerWaalsContact C-N 3.32Å; C399-A401 PolarHBondContact O-N 2.97Å; A401-P405 WeakPolarHBondContact O-CD 3.26Å; A401-P405 WeakPolarHBondContact O-CG 3.37Å |
| 402 | L | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -100.8 | -33.3 | -167.5 | -62.5 | 176.8 | 0 | 0 | 0 | 113.8 | T364 F368 L369 I372 L387 V398 C399 P405 V406 L420 L423 | T364-L402 HydrophobicContact CG2-CD1 3.89Å; T364-L402 HydrophobicContact CG2-CD2 4.05Å; T364-L402 HydrophobicContact CG2-CG 3.77Å; F368-L402 HydrophobicContact CB-CD1 4.37Å; F368-L402 HydrophobicContact CB-CD2 4.16Å; L369-L402 HydrophobicContact CB-CD2 4.14Å; L369-L402 HydrophobicContact CD1-CD2 4.38Å; I372-L402 HydrophobicContact CD1-CD1 3.79Å; I372-L402 HydrophobicContact CD1-CD2 4.12Å; I372-L402 HydrophobicContact CD1-CG 4.49Å; L387-L402 HydrophobicContact CD1-CD1 3.77Å; V398-L402 HydrophobicContact CG1-CD1 3.86Å; V398-L402 WeakPolarHBondContact O-CG 3.25Å; V398-L402 PolarHBondContact O-N 2.99Å; V398-L402 VanDerWaalsContact O-N 3.15Å; C399-L402 PolarHBondContact O-N 3.33Å; L402-P405 WeakPolarHBondContact O-CD 3.46Å; L402-V406 WeakPolarHBondContact O-CB 3.48Å; L402-V406 WeakPolarHBondContact O-CG2 3.29Å; L402-V406 PolarHBondContact O-N 2.99Å; L402-L420 HydrophobicContact CB-CD2 4.37Å; L402-L423 HydrophobicContact CD1-CD1 3.87Å |
| 403 | L | 94.9 | Very high | 94.2 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.4 | -58.3 | -170.1 | -170.2 | 91.7 | 0 | 0 | 0 | 112.9 | C399 L407 V424 M437 I441 V453 | C399-L403 WeakPolarHBondContact O-CB 3.46Å; C399-L403 PolarHBondContact O-N 3Å; L403-L407 HydrophobicContact CD1-CD1 4.18Å; L403-L407 HydrophobicContact CG-CD1 3.93Å; L403-L407 VanDerWaalsContact O-CB 3.31Å; L403-L407 WeakPolarHBondContact O-CB 3.2Å; L403-L407 VanDerWaalsContact O-CG 3.29Å; L403-L407 WeakPolarHBondContact O-CG 3.43Å; L403-L407 PolarHBondContact O-N 3.01Å; L403-V424 HydrophobicContact CD1-CG1 4.05Å; L403-M437 HydrophobicContact CB-CE 3.65Å; L403-M437 HydrophobicContact CD1-CE 4.18Å; L403-M437 HydrophobicContact CD2-CE 3.26Å; L403-M437 HydrophobicContact CG-CE 3.86Å; L403-I441 HydrophobicContact CD1-CD1 4.38Å; L403-I441 HydrophobicContact CD1-CG1 4.49Å; L403-I441 HydrophobicContact CD2-CD1 3.82Å; L403-I441 HydrophobicContact CD2-CG1 3.26Å; L403-I441 HydrophobicContact CG-CG1 4.3Å; L403-V453 HydrophobicContact CD1-CG1 3.68Å |
| 404 | D | 93.2 | Very high | 94.1 | Very high | 38 Ų | 38 | 39.3 Ų | 39.3 | 20% | 0.203 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.2 | -49.4 | -176.6 | -63.1 | -25.9 | 0 | 0 | 0 | 112.1 | V406 L407 Q408 | D404-V406 PolarHBondContact O-N 2.91Å; D404-L407 PolarHBondContact O-N 3.48Å; D404-Q408 WeakPolarHBondContact O-CB 3.45Å; D404-Q408 VanDerWaalsContact O-CG 3.3Å; D404-Q408 WeakPolarHBondContact O-CG 3.44Å; D404-Q408 PolarHBondContact O-N 3.09Å |
| 405 | P | 95.3 | Very high | 94 | Very high | 38 Ų | 38 | 39.4 Ų | 39.4 | 25% | 0.247 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.2 | -38.6 | -178.1 | -24.2 | 37.3 | 0 | 0 | 0 | 113.2 | L369 A401 L402 A409 | L369-P405 HydrophobicContact CD1-CB 3.76Å; L369-P405 HydrophobicContact CD2-CB 3.88Å; L369-P405 HydrophobicContact CD2-CG 4.38Å; L369-P405 HydrophobicContact CG-CB 4.49Å; A401-P405 WeakPolarHBondContact O-CD 3.26Å; A401-P405 WeakPolarHBondContact O-CG 3.37Å; L402-P405 WeakPolarHBondContact O-CD 3.46Å; P405-A409 WeakPolarHBondContact O-CB 3.29Å; P405-A409 PolarHBondContact O-N 2.8Å; P405-A409 VanDerWaalsContact O-N 3.08Å |
| 406 | V | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -72.3 | -38.9 | 179.7 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | L369 I372 L373 L402 D404 T412 Q416 L420 | L369-V406 HydrophobicContact CD1-CG2 3.62Å; I372-V406 HydrophobicContact CG2-CG1 4.12Å; I372-V406 HydrophobicContact CG2-CG2 3.93Å; L373-V406 HydrophobicContact CD2-CB 4.46Å; L373-V406 HydrophobicContact CD2-CG1 4.5Å; L373-V406 HydrophobicContact CD2-CG2 4.19Å; L402-V406 WeakPolarHBondContact O-CB 3.48Å; L402-V406 WeakPolarHBondContact O-CG2 3.29Å; L402-V406 PolarHBondContact O-N 2.99Å; D404-V406 PolarHBondContact O-N 2.91Å; V406-T412 HydrophobicContact CG1-CG2 4.06Å; V406-T412 WeakPolarHBondContact O-CG2 3.26Å; V406-T412 PolarHBondContact O-OG1 3.48Å; V406-Q416 HydrophobicContact CG1-CB 3.78Å; V406-Q416 HydrophobicContact CG1-CG 4.24Å; V406-L420 HydrophobicContact CB-CD1 4.03Å; V406-L420 HydrophobicContact CB-CD2 4.3Å; V406-L420 HydrophobicContact CG1-CD1 3.72Å; V406-L420 HydrophobicContact CG1-CD2 4.37Å; V406-L420 HydrophobicContact CG1-CG 4.13Å |
| 407 | L | 94.6 | Very high | 94 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.5 | -27.6 | 176.5 | -70.9 | 176.8 | 0 | 0 | 0 | 112.7 | L403 D404 L420 L444 K447 E449 I450 V453 | L403-L407 HydrophobicContact CD1-CD1 4.18Å; L403-L407 HydrophobicContact CG-CD1 3.93Å; L403-L407 VanDerWaalsContact O-CB 3.31Å; L403-L407 WeakPolarHBondContact O-CB 3.2Å; L403-L407 VanDerWaalsContact O-CG 3.29Å; L403-L407 WeakPolarHBondContact O-CG 3.43Å; L403-L407 PolarHBondContact O-N 3.01Å; D404-L407 PolarHBondContact O-N 3.48Å; L407-L420 HydrophobicContact CD2-CD1 3.71Å; L407-L420 HydrophobicContact CG-CD1 3.74Å; L407-L444 HydrophobicContact CB-CD1 3.9Å; L407-L444 HydrophobicContact CD1-CD1 3.65Å; L407-L444 HydrophobicContact CG-CD1 4.44Å; L407-K447 WeakPolarHBondContact O-CE 3.49Å; L407-K447 PolarHBondContact O-NZ 3.29Å; L407-E449 HydrophobicContact CD2-CB 4.1Å; L407-I450 HydrophobicContact CD1-CG1 4.32Å; L407-I450 HydrophobicContact CD2-CG1 4.17Å; L407-V453 HydrophobicContact CD2-CG2 4.17Å |
| 408 | Q | 93.8 | Very high | 93.9 | Very high | 122 Ų | 122 | 41.8 Ų | 41.8 | 57% | 0.57 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -84.6 | -19.1 | 177.1 | -70.2 | -172.8 | 12.8 | 0 | 0 | 113.8 | D404 L444 | D404-Q408 WeakPolarHBondContact O-CB 3.45Å; D404-Q408 VanDerWaalsContact O-CG 3.3Å; D404-Q408 WeakPolarHBondContact O-CG 3.44Å; D404-Q408 PolarHBondContact O-N 3.09Å; Q408-L444 HydrophobicContact CG-CD2 3.9Å |
| 409 | A | 93.7 | Very high | 93.9 | Very high | 23 Ų | 23 | 42.5 Ų | 42.5 | 19% | 0.19 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -59 | 147.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L373 P405 T412 K447 | L373-A409 HydrophobicContact CD2-CB 3.42Å; L373-A409 VanDerWaalsContact CD2-CB 3.42Å; P405-A409 WeakPolarHBondContact O-CB 3.29Å; P405-A409 PolarHBondContact O-N 2.8Å; P405-A409 VanDerWaalsContact O-N 3.08Å; A409-T412 PolarHBondContact O-OG1 3.49Å; A409-K447 PolarHBondContact O-NZ 3.21Å |
| 410 | Q | 85.9 | Confident | 93.9 | Very high | 201 Ų | 201 | 42.4 Ų | 42.4 | 94% | 0.939 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 135.2 | 169.9 | -62.8 | -173.4 | 8.8 | 0 | 0 | 108.6 | ||
| 411 | G | 82.1 | Confident | 94 | Very high | 76 Ų | 76 | 38.5 Ų | 38.5 | 78% | 0.784 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | 11.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | G413 | G411-G413 PolarHBondContact O-N 3Å; G411-G413 VanDerWaalsContact O-N 3.17Å |
| 412 | T | 90.4 | Very high | 93.9 | Very high | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.055 | 25% | 0.251 | C | S | . | . | trans | -54.5 | 120.5 | 167.7 | -43 | 0 | 0 | 0 | 0 | 109.5 | V406 A409 Q416 T417 K447 E449 | V406-T412 HydrophobicContact CG1-CG2 4.06Å; V406-T412 WeakPolarHBondContact O-CG2 3.26Å; V406-T412 PolarHBondContact O-OG1 3.48Å; A409-T412 PolarHBondContact O-OG1 3.49Å; T412-Q416 HydrophobicContact CG2-CB 3.78Å; T412-Q416 HydrophobicContact CG2-CG 4.44Å; T412-T417 HydrophobicContact CG2-CG2 4.27Å; T412-K447 PolarHBondContact OG1-NZ 2.7Å; T412-E449 HydrophobicContact CG2-CB 4.46Å; T412-E449 HydrophobicContact CG2-CG 4.02Å | ||
| 413 | G | 92.6 | Very high | 93.8 | Very high | 15 Ų | 15 | 42.3 Ų | 42.3 | 16% | 0.155 | 25% | 0.253 | C | S | . | . | trans | -124.5 | -166.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G411 A415 Q416 T417 | G411-G413 PolarHBondContact O-N 3Å; G411-G413 VanDerWaalsContact O-N 3.17Å; G413-A415 VanDerWaalsContact C-N 3.34Å; G413-A415 PolarHBondContact O-N 3.03Å; G413-Q416 PolarHBondContact O-N 3.41Å; G413-Q416 PolarHBondContact O-OE1 3.33Å; G413-T417 WeakPolarHBondContact O-CG2 3.49Å; G413-T417 PolarHBondContact O-N 3.38Å; G413-T417 PolarHBondContact O-OG1 3.14Å | ||
| 414 | P | 94.1 | Very high | 93.8 | Very high | 109 Ų | 109 | 42.2 Ų | 42.2 | 71% | 0.708 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -53.8 | -46.1 | -176.2 | -28.5 | 36.1 | 0 | 0 | 0 | 113.4 | Q416 T417 E418 | P414-Q416 VanDerWaalsContact C-N 3.33Å; P414-Q416 PolarHBondContact O-N 3.36Å; P414-T417 WeakPolarHBondContact CA-OG1 3.39Å; P414-T417 PolarHBondContact O-N 3.16Å; P414-T417 VanDerWaalsContact O-N 3.15Å; P414-T417 PolarHBondContact O-OG1 3.06Å; P414-E418 WeakPolarHBondContact O-CB 3.32Å; P414-E418 PolarHBondContact O-N 3.38Å |
| 415 | A | 94.8 | Very high | 93.9 | Very high | 12 Ų | 12 | 44.7 Ų | 44.7 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.1 | -42.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L375 S377 G413 | L375-A415 HydrophobicContact CB-CB 4.14Å; S377-A415 VanDerWaalsContact O-CB 3.24Å; S377-A415 WeakPolarHBondContact O-CB 3.38Å; G413-A415 VanDerWaalsContact C-N 3.34Å; G413-A415 PolarHBondContact O-N 3.03Å |
| 416 | Q | 96.3 | Very high | 93.8 | Very high | 9 Ų | 9 | 44 Ų | 44 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.6 | -45.1 | 176.1 | -65.8 | 82 | 5.4 | 0 | 0 | 111.4 | I372 L375 V406 T412 G413 P414 E418 L419 L420 | I372-Q416 HydrophobicContact CG2-CB 4.26Å; I372-Q416 HydrophobicContact CG2-CG 3.92Å; I372-Q416 VanDerWaalsContact O-CG 3.24Å; I372-Q416 WeakPolarHBondContact O-CG 3.31Å; I372-Q416 PolarHBondContact O-NE2 3.48Å; I372-Q416 VanDerWaalsContact O-NE2 3.16Å; L375-Q416 PolarHBondContact O-NE2 3.14Å; V406-Q416 HydrophobicContact CG1-CB 3.78Å; V406-Q416 HydrophobicContact CG1-CG 4.24Å; T412-Q416 HydrophobicContact CG2-CB 3.78Å; T412-Q416 HydrophobicContact CG2-CG 4.44Å; G413-Q416 PolarHBondContact O-N 3.41Å; G413-Q416 PolarHBondContact O-OE1 3.33Å; P414-Q416 VanDerWaalsContact C-N 3.33Å; P414-Q416 PolarHBondContact O-N 3.36Å; Q416-E418 VanDerWaalsContact C-N 3.31Å; Q416-E418 PolarHBondContact O-N 2.98Å; Q416-L419 PolarHBondContact O-N 2.87Å; Q416-L420 WeakPolarHBondContact O-CG 3.45Å; Q416-L420 PolarHBondContact O-N 3.27Å |
| 417 | T | 95.6 | Very high | 93.5 | Very high | 9 Ų | 9 | 53 Ų | 53 | 6% | 0.055 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.8 | -34.1 | -177.7 | 56.5 | 0 | 0 | 0 | 0 | 113.1 | T412 G413 P414 L420 C421 E449 | T412-T417 HydrophobicContact CG2-CG2 4.27Å; G413-T417 WeakPolarHBondContact O-CG2 3.49Å; G413-T417 PolarHBondContact O-N 3.38Å; G413-T417 PolarHBondContact O-OG1 3.14Å; P414-T417 WeakPolarHBondContact CA-OG1 3.39Å; P414-T417 PolarHBondContact O-N 3.16Å; P414-T417 VanDerWaalsContact O-N 3.15Å; P414-T417 PolarHBondContact O-OG1 3.06Å; T417-L420 PolarHBondContact O-N 3.29Å; T417-C421 WeakPolarHBondContact O-CB 3.25Å; T417-C421 PolarHBondContact O-N 2.99Å; T417-C421 PolarHBondContact O-SG 3.35Å; T417-E449 HydrophobicContact CG2-CB 3.43Å; T417-E449 VanDerWaalsContact CG2-CB 3.43Å; T417-E449 HydrophobicContact CG2-CG 3.47Å; T417-E449 VanDerWaalsContact CG2-CG 3.47Å |
| 418 | E | 95.7 | Very high | 93.4 | Very high | 106 Ų | 106 | 55.3 Ų | 55.3 | 50% | 0.495 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.2 | -49 | 175.8 | -176.4 | 178.7 | -173.7 | 0 | 0 | 110.4 | P414 Q416 L420 C421 C422 | P414-E418 WeakPolarHBondContact O-CB 3.32Å; P414-E418 PolarHBondContact O-N 3.38Å; Q416-E418 VanDerWaalsContact C-N 3.31Å; Q416-E418 PolarHBondContact O-N 2.98Å; E418-L420 PolarHBondContact O-N 3.48Å; E418-C421 PolarHBondContact O-N 3.49Å; E418-C422 PolarHBondContact O-N 2.98Å; E418-C422 PolarHBondContact O-SG 3.11Å |
| 419 | L | 96.7 | Very high | 93.4 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 175.2 | -68 | 179.1 | 0 | 0 | 0 | 111.9 | I372 L375 A379 L387 Q416 C421 C422 L423 | I372-L419 HydrophobicContact CD1-CD1 4.43Å; I372-L419 HydrophobicContact CG1-CD1 3.97Å; I372-L419 HydrophobicContact CG2-CD1 4.4Å; L375-L419 HydrophobicContact CD1-CD1 3.65Å; A379-L419 HydrophobicContact CB-CD1 4.03Å; A379-L419 HydrophobicContact CB-CD2 4.19Å; A379-L419 HydrophobicContact CB-CG 4.49Å; L387-L419 HydrophobicContact CD2-CD1 4.41Å; L387-L419 HydrophobicContact CD2-CD2 4.31Å; Q416-L419 PolarHBondContact O-N 2.87Å; L419-C421 VanDerWaalsContact C-N 3.31Å; L419-C421 PolarHBondContact O-N 2.94Å; L419-C422 WeakPolarHBondContact O-CB 3.32Å; L419-C422 PolarHBondContact O-N 3.02Å; L419-L423 VanDerWaalsContact O-CG 3.31Å; L419-L423 WeakPolarHBondContact O-CG 3.41Å; L419-L423 PolarHBondContact O-N 3.34Å |
| 420 | L | 96.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 177.4 | -67.2 | -174.3 | 0 | 0 | 0 | 112.1 | L402 V406 L407 Q416 T417 E418 L423 V424 V453 | L402-L420 HydrophobicContact CB-CD2 4.37Å; V406-L420 HydrophobicContact CB-CD1 4.03Å; V406-L420 HydrophobicContact CB-CD2 4.3Å; V406-L420 HydrophobicContact CG1-CD1 3.72Å; V406-L420 HydrophobicContact CG1-CD2 4.37Å; V406-L420 HydrophobicContact CG1-CG 4.13Å; L407-L420 HydrophobicContact CD2-CD1 3.71Å; L407-L420 HydrophobicContact CG-CD1 3.74Å; Q416-L420 WeakPolarHBondContact O-CG 3.45Å; Q416-L420 PolarHBondContact O-N 3.27Å; T417-L420 PolarHBondContact O-N 3.29Å; E418-L420 PolarHBondContact O-N 3.48Å; L420-L423 HydrophobicContact CD2-CD1 4.38Å; L420-L423 PolarHBondContact O-N 3.03Å; L420-V424 PolarHBondContact O-N 3.28Å; L420-V453 HydrophobicContact CB-CG1 4.47Å; L420-V453 HydrophobicContact CB-CG2 3.78Å; L420-V453 HydrophobicContact CD1-CG2 4.2Å |
| 421 | C | 96.4 | Very high | 93.7 | Very high | 19 Ų | 19 | 49.6 Ų | 49.6 | 13% | 0.128 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.5 | -43 | 175.9 | -70.2 | 0 | 0 | 0 | 0 | 111.2 | T417 E418 L419 L423 V424 K425 S456 | T417-C421 WeakPolarHBondContact O-CB 3.25Å; T417-C421 PolarHBondContact O-N 2.99Å; T417-C421 PolarHBondContact O-SG 3.35Å; E418-C421 PolarHBondContact O-N 3.49Å; L419-C421 VanDerWaalsContact C-N 3.31Å; L419-C421 PolarHBondContact O-N 2.94Å; C421-L423 PolarHBondContact O-N 3.39Å; C421-V424 WeakPolarHBondContact O-CG2 3.24Å; C421-K425 VanDerWaalsContact O-CB 3.3Å; C421-K425 WeakPolarHBondContact O-CB 3.44Å; C421-K425 VanDerWaalsContact O-CG 3.26Å; C421-K425 WeakPolarHBondContact O-CG 3.45Å; C421-K425 PolarHBondContact O-N 3.5Å; C421-K425 VanDerWaalsContact O-N 3.11Å; C421-S456 PolarHBondContact SG-OG 3.03Å |
| 422 | C | 95.2 | Very high | 94.2 | Very high | 72 Ų | 72 | 52 Ų | 52 | 49% | 0.486 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 174.1 | -70.9 | 0 | 0 | 0 | 0 | 112 | E418 L419 K425 A426 | E418-C422 PolarHBondContact O-N 2.98Å; E418-C422 PolarHBondContact O-SG 3.11Å; L419-C422 WeakPolarHBondContact O-CB 3.32Å; L419-C422 PolarHBondContact O-N 3.02Å; C422-K425 PolarHBondContact O-N 3.19Å; C422-A426 PolarHBondContact O-N 3.22Å |
| 423 | L | 95.9 | Very high | 94.3 | Very high | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.7 | -47 | 179.2 | -67.8 | 175 | 0 | 0 | 0 | 112.4 | L387 C391 V398 L402 L419 L420 C421 K425 A426 | L387-L423 HydrophobicContact CD1-CD2 4.24Å; L387-L423 HydrophobicContact CD2-CD1 4.39Å; L387-L423 HydrophobicContact CD2-CD2 4.32Å; L387-L423 HydrophobicContact CG-CD2 4.1Å; C391-L423 HydrophobicContact CB-CD2 3.86Å; C391-L423 WeakPolarHBondContact SG-CD2 3.48Å; V398-L423 HydrophobicContact CG1-CD1 4.27Å; V398-L423 HydrophobicContact CG1-CD2 3.98Å; L402-L423 HydrophobicContact CD1-CD1 3.87Å; L419-L423 VanDerWaalsContact O-CG 3.31Å; L419-L423 WeakPolarHBondContact O-CG 3.41Å; L419-L423 PolarHBondContact O-N 3.34Å; L420-L423 HydrophobicContact CD2-CD1 4.38Å; L420-L423 PolarHBondContact O-N 3.03Å; C421-L423 PolarHBondContact O-N 3.39Å; L423-K425 PolarHBondContact O-N 3.04Å; L423-A426 VanDerWaalsContact O-CB 3.23Å; L423-A426 WeakPolarHBondContact O-CB 3.37Å; L423-A426 PolarHBondContact O-N 2.95Å; L423-A426 VanDerWaalsContact O-N 3.14Å |
| 424 | V | 95.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.3 | -17.9 | 178.9 | -58.9 | 0 | 0 | 0 | 0 | 112.9 | L403 L420 C421 V453 L457 R460 | L403-V424 HydrophobicContact CD1-CG1 4.05Å; L420-V424 PolarHBondContact O-N 3.28Å; C421-V424 WeakPolarHBondContact O-CG2 3.24Å; V424-V453 HydrophobicContact CG1-CG1 4.08Å; V424-V453 HydrophobicContact CG2-CG1 4.34Å; V424-L457 HydrophobicContact CB-CB 4.44Å; V424-L457 HydrophobicContact CB-CD1 4.38Å; V424-L457 HydrophobicContact CG2-CB 4.4Å; V424-R460 VanDerWaalsContact O-CD 3.31Å; V424-R460 WeakPolarHBondContact O-CD 3.5Å; V424-R460 PolarHBondContact O-NH1 3.34Å |
| 425 | K | 94.7 | Very high | 94.4 | Very high | 90 Ų | 90 | 48.4 Ų | 48.4 | 39% | 0.391 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -87.6 | -6.5 | 173.8 | -75.4 | 174.5 | 164.8 | 169.1 | 0 | 114 | C421 C422 L423 E427 S456 E459 R460 | C421-K425 VanDerWaalsContact O-CB 3.3Å; C421-K425 WeakPolarHBondContact O-CB 3.44Å; C421-K425 VanDerWaalsContact O-CG 3.26Å; C421-K425 WeakPolarHBondContact O-CG 3.45Å; C421-K425 PolarHBondContact O-N 3.5Å; C421-K425 VanDerWaalsContact O-N 3.11Å; C422-K425 PolarHBondContact O-N 3.19Å; L423-K425 PolarHBondContact O-N 3.04Å; K425-E427 PolarHBondContact O-N 2.84Å; K425-S456 VanDerWaalsContact CE-CB 3.46Å; K425-S456 WeakPolarHBondContact CE-OG 3.46Å; K425-S456 PolarHBondContact NZ-OG 3.48Å; K425-S456 VanDerWaalsContact NZ-OG 3.16Å; K425-E459 WeakPolarHBondContact CE-OE2 3.28Å; K425-E459 IonicContact NZ-OE2 3.38Å; K425-E459 PolarHBondContact NZ-OE2 2.89Å; K425-R460 PolarHBondContact O-NH1 3.44Å |
| 426 | A | 93 | Very high | 94.3 | Very high | 22 Ų | 22 | 51.5 Ų | 51.5 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | trans | -57.9 | 128 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T395 C422 L423 S428 L429 R460 | T395-A426 HydrophobicContact CG2-CB 4.04Å; C422-A426 PolarHBondContact O-N 3.22Å; L423-A426 VanDerWaalsContact O-CB 3.23Å; L423-A426 WeakPolarHBondContact O-CB 3.37Å; L423-A426 PolarHBondContact O-N 2.95Å; L423-A426 VanDerWaalsContact O-N 3.14Å; A426-S428 PolarHBondContact O-N 3.18Å; A426-L429 VanDerWaalsContact O-CB 3.3Å; A426-L429 WeakPolarHBondContact O-CB 3.36Å; A426-L429 PolarHBondContact O-N 3.04Å; A426-R460 PolarHBondContact O-NH1 3.16Å; A426-R460 PolarHBondContact O-NH2 3.15Å; A426-R460 VanDerWaalsContact O-NH2 3.12Å | ||
| 427 | E | 90.8 | Very high | 94.1 | Very high | 190 Ų | 190 | 51 Ų | 51 | 89% | 0.888 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -31.8 | -177.7 | -66 | -170.4 | 168.3 | 0 | 0 | 112.9 | K425 L429 | K425-E427 PolarHBondContact O-N 2.84Å; E427-L429 PolarHBondContact O-N 2.99Å |
| 428 | S | 92.4 | Very high | 94.1 | Very high | 51 Ų | 51 | 50.6 Ų | 50.6 | 36% | 0.357 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -2.6 | 177.2 | 57.8 | 0 | 0 | 0 | 0 | 114.3 | T395 A426 E430 | T395-S428 VanDerWaalsContact CG2-OG 3.31Å; T395-S428 WeakPolarHBondContact CG2-OG 3.28Å; T395-S428 VanDerWaalsContact OG1-CB 3.27Å; T395-S428 WeakPolarHBondContact OG1-CB 3.35Å; T395-S428 PolarHBondContact OG1-O 3.03Å; T395-S428 PolarHBondContact OG1-OG 3.37Å; A426-S428 PolarHBondContact O-N 3.18Å; S428-E430 PolarHBondContact O-N 3.13Å |
| 429 | L | 93.7 | Very high | 94 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -82.4 | 102.3 | 177.1 | -171.2 | 65.3 | 0 | 0 | 0 | 109.6 | T395 A426 E427 A433 Q434 | T395-L429 HydrophobicContact CG2-CB 3.79Å; T395-L429 HydrophobicContact CG2-CD1 3.96Å; T395-L429 HydrophobicContact CG2-CG 4.47Å; A426-L429 VanDerWaalsContact O-CB 3.3Å; A426-L429 WeakPolarHBondContact O-CB 3.36Å; A426-L429 PolarHBondContact O-N 3.04Å; E427-L429 PolarHBondContact O-N 2.99Å; L429-A433 HydrophobicContact CD1-CB 3.71Å; L429-A433 HydrophobicContact CG-CB 4.37Å; L429-Q434 HydrophobicContact CD2-CG 3.8Å; L429-Q434 HydrophobicContact CG-CG 3.82Å; L429-Q434 PolarHBondContact O-NE2 2.88Å |
| 430 | E | 92.4 | Very high | 93.8 | Very high | 138 Ų | 138 | 47.1 Ų | 47.1 | 65% | 0.645 | 26% | 0.258 | S | S | * | . | trans | -61 | 151.6 | -177.9 | -61.9 | -175.5 | 149.2 | 0 | 0 | 112.9 | S428 D432 A433 Q434 | S428-E430 PolarHBondContact O-N 3.13Å; E430-D432 VanDerWaalsContact C-N 3.33Å; E430-D432 PolarHBondContact O-N 2.84Å; E430-A433 WeakPolarHBondContact O-CA 3.46Å; E430-A433 WeakPolarHBondContact O-CB 3.29Å; E430-A433 PolarHBondContact O-N 3.45Å; E430-Q434 WeakPolarHBondContact O-CG 3.48Å; E430-Q434 PolarHBondContact O-N 2.87Å | ||
| 431 | P | 93.2 | Very high | 93.7 | Very high | 87 Ų | 87 | 47 Ų | 47 | 57% | 0.565 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -53.9 | -44.2 | -178.8 | -27.3 | 35.1 | 0 | 0 | 0 | 114 | A433 Q434 V435 | P431-A433 VanDerWaalsContact C-N 3.28Å; P431-A433 PolarHBondContact O-N 3.42Å; P431-Q434 WeakPolarHBondContact O-CB 3.4Å; P431-Q434 PolarHBondContact O-N 3.45Å; P431-Q434 VanDerWaalsContact O-N 3.11Å; P431-V435 WeakPolarHBondContact O-CG2 3.4Å; P431-V435 PolarHBondContact O-N 3.38Å |
| 432 | D | 92.1 | Very high | 93.6 | Very high | 127 Ų | 127 | 46.5 Ų | 46.5 | 68% | 0.679 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -60.8 | -39 | 177.9 | -73.7 | -22.7 | 0 | 0 | 0 | 111.8 | E430 V435 L436 | E430-D432 VanDerWaalsContact C-N 3.33Å; E430-D432 PolarHBondContact O-N 2.84Å; D432-V435 PolarHBondContact O-N 3.01Å; D432-L436 WeakPolarHBondContact O-CG 3.31Å; D432-L436 PolarHBondContact O-N 3.19Å; D432-L436 VanDerWaalsContact O-N 3.16Å |
| 433 | A | 92.7 | Very high | 93.5 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y396 L429 E430 P431 V435 L436 M437 | Y396-A433 HydrophobicContact CD2-CB 3.65Å; Y396-A433 HydrophobicContact CE2-CB 4.36Å; Y396-A433 HydrophobicContact CG-CB 4.04Å; L429-A433 HydrophobicContact CD1-CB 3.71Å; L429-A433 HydrophobicContact CG-CB 4.37Å; E430-A433 WeakPolarHBondContact O-CA 3.46Å; E430-A433 WeakPolarHBondContact O-CB 3.29Å; E430-A433 PolarHBondContact O-N 3.45Å; P431-A433 VanDerWaalsContact C-N 3.28Å; P431-A433 PolarHBondContact O-N 3.42Å; A433-V435 VanDerWaalsContact C-N 3.29Å; A433-V435 PolarHBondContact O-N 3.14Å; A433-L436 WeakPolarHBondContact O-CB 3.3Å; A433-L436 PolarHBondContact O-N 3.27Å; A433-L436 VanDerWaalsContact O-N 3.14Å; A433-M437 VanDerWaalsContact O-CG 3.28Å; A433-M437 WeakPolarHBondContact O-CG 3.41Å; A433-M437 PolarHBondContact O-N 3.36Å |
| 434 | Q | 94.3 | Very high | 93.3 | Very high | 17 Ų | 17 | 51 Ų | 51 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.7 | -41.6 | 174.8 | -63.1 | 170.8 | 26.5 | 0 | 0 | 111.7 | L429 E430 P431 L436 M437 L438 L457 V462 | L429-Q434 HydrophobicContact CD2-CG 3.8Å; L429-Q434 HydrophobicContact CG-CG 3.82Å; L429-Q434 PolarHBondContact O-NE2 2.88Å; E430-Q434 WeakPolarHBondContact O-CG 3.48Å; E430-Q434 PolarHBondContact O-N 2.87Å; P431-Q434 WeakPolarHBondContact O-CB 3.4Å; P431-Q434 PolarHBondContact O-N 3.45Å; P431-Q434 VanDerWaalsContact O-N 3.11Å; Q434-L436 VanDerWaalsContact C-N 3.35Å; Q434-L436 PolarHBondContact O-N 3.26Å; Q434-M437 PolarHBondContact O-N 3.24Å; Q434-L438 WeakPolarHBondContact O-CB 3.16Å; Q434-L438 PolarHBondContact O-N 3.26Å; Q434-L457 HydrophobicContact CB-CD1 4.11Å; Q434-L457 HydrophobicContact CG-CD1 4.25Å; Q434-V462 HydrophobicContact CB-CG1 3.9Å; Q434-V462 HydrophobicContact CB-CG2 3.91Å |
| 435 | V | 93.7 | Very high | 93.1 | Very high | 31 Ų | 31 | 55.6 Ų | 55.6 | 19% | 0.188 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 177.3 | 176.5 | 0 | 0 | 0 | 0 | 112.1 | P431 D432 A433 G439 V462 E463 K468 | P431-V435 WeakPolarHBondContact O-CG2 3.4Å; P431-V435 PolarHBondContact O-N 3.38Å; D432-V435 PolarHBondContact O-N 3.01Å; A433-V435 VanDerWaalsContact C-N 3.29Å; A433-V435 PolarHBondContact O-N 3.14Å; V435-G439 PolarHBondContact O-N 3.36Å; V435-G439 VanDerWaalsContact O-N 3.14Å; V435-V462 HydrophobicContact CG2-CG1 3.81Å; V435-E463 WeakPolarHBondContact CG2-O 3.38Å; V435-K468 PolarHBondContact O-NZ 3.34Å |
| 436 | L | 92.8 | Very high | 93 | Very high | 76 Ų | 76 | 51.8 Ų | 51.8 | 40% | 0.398 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.9 | -48.9 | 175.1 | -67.9 | 173.1 | 0 | 0 | 0 | 110.9 | Y396 D432 A433 Q434 L438 G439 Q440 | Y396-L436 HydrophobicContact CE1-CD1 4.45Å; Y396-L436 HydrophobicContact CE2-CB 4.02Å; Y396-L436 HydrophobicContact CE2-CD1 4.18Å; Y396-L436 WeakPolarHBondContact OH-CD1 3.27Å; D432-L436 WeakPolarHBondContact O-CG 3.31Å; D432-L436 PolarHBondContact O-N 3.19Å; D432-L436 VanDerWaalsContact O-N 3.16Å; A433-L436 WeakPolarHBondContact O-CB 3.3Å; A433-L436 PolarHBondContact O-N 3.27Å; A433-L436 VanDerWaalsContact O-N 3.14Å; Q434-L436 VanDerWaalsContact C-N 3.35Å; Q434-L436 PolarHBondContact O-N 3.26Å; L436-L438 VanDerWaalsContact C-N 3.31Å; L436-L438 PolarHBondContact O-N 3.11Å; L436-G439 WeakPolarHBondContact O-CA 3.46Å; L436-G439 PolarHBondContact O-N 2.8Å; L436-Q440 PolarHBondContact O-N 3.16Å; L436-Q440 VanDerWaalsContact O-N 3.12Å |
| 437 | M | 93.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58 | -44 | 176.9 | -65.9 | -53.4 | -54.2 | 0 | 0 | 111.5 | Y396 C399 R400 L403 A433 Q434 G439 Q440 I441 L457 | Y396-M437 HydrophobicContact CD2-CG 4.45Å; Y396-M437 HydrophobicContact CD2-SD 4.06Å; Y396-M437 HydrophobicContact CE2-CG 4.41Å; Y396-M437 HydrophobicContact CE2-SD 3.88Å; C399-M437 HydrophobicContact CB-CE 3.74Å; C399-M437 HydrophobicContact CB-CG 4.4Å; C399-M437 HydrophobicContact CB-SD 3.72Å; R400-M437 HydrophobicContact CB-SD 4.44Å; L403-M437 HydrophobicContact CB-CE 3.65Å; L403-M437 HydrophobicContact CD1-CE 4.18Å; L403-M437 HydrophobicContact CD2-CE 3.26Å; L403-M437 HydrophobicContact CG-CE 3.86Å; A433-M437 VanDerWaalsContact O-CG 3.28Å; A433-M437 WeakPolarHBondContact O-CG 3.41Å; A433-M437 PolarHBondContact O-N 3.36Å; Q434-M437 PolarHBondContact O-N 3.24Å; M437-G439 VanDerWaalsContact C-N 3.29Å; M437-G439 PolarHBondContact O-N 3.11Å; M437-Q440 PolarHBondContact O-N 3.49Å; M437-I441 WeakPolarHBondContact O-CG1 3.09Å; M437-I441 PolarHBondContact O-N 2.76Å; M437-L457 HydrophobicContact CB-CD2 4.37Å |
| 438 | L | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.1 | -43.7 | 175.3 | 176.7 | 64.6 | 0 | 0 | 0 | 111.5 | Q434 L436 Q440 I441 L442 L454 L457 L458 V462 M464 | Q434-L438 WeakPolarHBondContact O-CB 3.16Å; Q434-L438 PolarHBondContact O-N 3.26Å; L436-L438 VanDerWaalsContact C-N 3.31Å; L436-L438 PolarHBondContact O-N 3.11Å; L438-Q440 VanDerWaalsContact C-N 3.3Å; L438-Q440 PolarHBondContact O-N 3.34Å; L438-I441 PolarHBondContact O-N 3.41Å; L438-L442 HydrophobicContact CD1-CD1 4.17Å; L438-L442 HydrophobicContact CD1-CD2 4.46Å; L438-L442 HydrophobicContact CD1-CG 4.05Å; L438-L442 HydrophobicContact CG-CD1 4.08Å; L438-L442 HydrophobicContact CG-CG 4.34Å; L438-L442 WeakPolarHBondContact O-CB 3.33Å; L438-L442 VanDerWaalsContact O-CG 3.24Å; L438-L442 WeakPolarHBondContact O-CG 3.23Å; L438-L442 PolarHBondContact O-N 3.49Å; L438-L454 HydrophobicContact CD1-CD1 3.44Å; L438-L454 VanDerWaalsContact CD1-CD1 3.44Å; L438-L457 HydrophobicContact CB-CD2 3.88Å; L438-L457 HydrophobicContact CD1-CD2 4.35Å; L438-L458 HydrophobicContact CD1-CD2 4.07Å; L438-L458 HydrophobicContact CD2-CD2 4.48Å; L438-V462 HydrophobicContact CD2-CG1 4.15Å; L438-M464 HydrophobicContact CD2-CG 3.33Å; L438-M464 HydrophobicContact CD2-SD 3.59Å; L438-M464 VanDerWaalsContact CD2-SD 3.59Å |
| 439 | G | 93.4 | Very high | 93 | Very high | 12 Ų | 12 | 48.9 Ų | 48.9 | 12% | 0.124 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.6 | -45.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V435 L436 M437 L442 E443 | V435-G439 PolarHBondContact O-N 3.36Å; V435-G439 VanDerWaalsContact O-N 3.14Å; L436-G439 WeakPolarHBondContact O-CA 3.46Å; L436-G439 PolarHBondContact O-N 2.8Å; M437-G439 VanDerWaalsContact C-N 3.29Å; M437-G439 PolarHBondContact O-N 3.11Å; G439-L442 PolarHBondContact O-N 3.44Å; G439-E443 WeakPolarHBondContact O-CG 3.04Å; G439-E443 PolarHBondContact O-N 3.15Å |
| 440 | Q | 92.1 | Very high | 93.1 | Very high | 35 Ų | 35 | 48.9 Ų | 48.9 | 16% | 0.164 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.7 | -48.6 | 178 | -63.8 | -179.1 | -54.5 | 0 | 0 | 111.8 | L436 M437 L438 L442 E443 L444 | L436-Q440 PolarHBondContact O-N 3.16Å; L436-Q440 VanDerWaalsContact O-N 3.12Å; M437-Q440 PolarHBondContact O-N 3.49Å; L438-Q440 VanDerWaalsContact C-N 3.3Å; L438-Q440 PolarHBondContact O-N 3.34Å; Q440-L442 VanDerWaalsContact C-N 3.26Å; Q440-L442 PolarHBondContact O-N 3.46Å; Q440-E443 PolarHBondContact O-N 3.39Å; Q440-L444 PolarHBondContact O-N 3.3Å |
| 441 | I | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.8 | -39.3 | 178.7 | -63.6 | 166.4 | 0 | 0 | 0 | 111.4 | L403 M437 L438 E443 L444 I450 V453 L454 L457 | L403-I441 HydrophobicContact CD1-CD1 4.38Å; L403-I441 HydrophobicContact CD1-CG1 4.49Å; L403-I441 HydrophobicContact CD2-CD1 3.82Å; L403-I441 HydrophobicContact CD2-CG1 3.26Å; L403-I441 HydrophobicContact CG-CG1 4.3Å; M437-I441 WeakPolarHBondContact O-CG1 3.09Å; M437-I441 PolarHBondContact O-N 2.76Å; L438-I441 PolarHBondContact O-N 3.41Å; I441-E443 PolarHBondContact O-N 3.2Å; I441-L444 WeakPolarHBondContact O-CB 3.41Å; I441-L444 PolarHBondContact O-N 3.1Å; I441-I450 HydrophobicContact CG2-CG2 3.8Å; I441-V453 HydrophobicContact CD1-CG1 4.25Å; I441-L454 HydrophobicContact CG2-CB 4.1Å; I441-L454 HydrophobicContact CG2-CD1 4.03Å; I441-L454 HydrophobicContact CG2-CG 4.45Å; I441-L457 HydrophobicContact CD1-CD2 3.71Å |
| 442 | L | 94.6 | Very high | 93.4 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.2 | -19.3 | 178.8 | -70.6 | -179.1 | 0 | 0 | 0 | 113.1 | L438 G439 Q440 W446 L454 K468 V471 L472 K475 | L438-L442 HydrophobicContact CD1-CD1 4.17Å; L438-L442 HydrophobicContact CD1-CD2 4.46Å; L438-L442 HydrophobicContact CD1-CG 4.05Å; L438-L442 HydrophobicContact CG-CD1 4.08Å; L438-L442 HydrophobicContact CG-CG 4.34Å; L438-L442 WeakPolarHBondContact O-CB 3.33Å; L438-L442 VanDerWaalsContact O-CG 3.24Å; L438-L442 WeakPolarHBondContact O-CG 3.23Å; L438-L442 PolarHBondContact O-N 3.49Å; G439-L442 PolarHBondContact O-N 3.44Å; Q440-L442 VanDerWaalsContact C-N 3.26Å; Q440-L442 PolarHBondContact O-N 3.46Å; L442-W446 HydrophobicContact CD2-CZ2 3.82Å; L442-L454 HydrophobicContact CD2-CD2 4.42Å; L442-K468 HydrophobicContact CD1-CB 4.27Å; L442-V471 HydrophobicContact CB-CG1 4.49Å; L442-L472 HydrophobicContact CD2-CB 4.11Å; L442-L472 HydrophobicContact CD2-CD1 3.82Å; L442-K475 VanDerWaalsContact O-CE 3.28Å; L442-K475 WeakPolarHBondContact O-CE 3.31Å; L442-K475 PolarHBondContact O-NZ 3.5Å |
| 443 | E | 93.5 | Very high | 93.6 | Very high | 168 Ų | 168 | 35.3 Ų | 35.3 | 79% | 0.785 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -83.2 | -22.1 | 175.7 | -70.7 | 176 | 177.3 | 0 | 0 | 112.2 | G439 Q440 I441 | G439-E443 WeakPolarHBondContact O-CG 3.04Å; G439-E443 PolarHBondContact O-N 3.15Å; Q440-E443 PolarHBondContact O-N 3.39Å; I441-E443 PolarHBondContact O-N 3.2Å |
| 444 | L | 92.1 | Very high | 93.8 | Very high | 7 Ų | 7 | 34.9 Ų | 34.9 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -69.2 | 155.5 | -177.3 | -62.1 | 179 | 0 | 0 | 0 | 114.3 | L407 Q408 Q440 I441 W446 I450 K475 | L407-L444 HydrophobicContact CB-CD1 3.9Å; L407-L444 HydrophobicContact CD1-CD1 3.65Å; L407-L444 HydrophobicContact CG-CD1 4.44Å; Q408-L444 HydrophobicContact CG-CD2 3.9Å; Q440-L444 PolarHBondContact O-N 3.3Å; I441-L444 WeakPolarHBondContact O-CB 3.41Å; I441-L444 PolarHBondContact O-N 3.1Å; L444-W446 VanDerWaalsContact O-CD1 3.26Å; L444-W446 PolarHBondContact O-N 3.37Å; L444-I450 HydrophobicContact CB-CD1 3.63Å; L444-I450 HydrophobicContact CD1-CD1 4.2Å; L444-K475 PolarHBondContact O-NZ 2.88Å |
| 445 | P | 91.3 | Very high | 94 | Very high | 96 Ų | 96 | 35.1 Ų | 35.1 | 62% | 0.623 | 18% | 0.18 | S | C | * | . | trans | -71.9 | 115.8 | 171.8 | 28.6 | -33.4 | 0 | 0 | 0 | 111.2 | K447 I450 | P445-K447 PolarHBondContact O-N 3.36Å; P445-I450 WeakPolarHBondContact O-CD1 3.4Å | ||
| 446 | W | 91.6 | Very high | 94.1 | Very high | 11 Ų | 11 | 33.9 Ų | 33.9 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | trans | -70.4 | 119.2 | -173.4 | -78 | 20.1 | 0 | 0 | 0 | 113.8 | L442 L444 I450 F451 L454 L472 K475 L476 K479 L492 | L442-W446 HydrophobicContact CD2-CZ2 3.82Å; L444-W446 VanDerWaalsContact O-CD1 3.26Å; L444-W446 PolarHBondContact O-N 3.37Å; W446-I450 HydrophobicContact CG-CG2 4.33Å; W446-F451 HydrophobicContact CB-CE1 4.2Å; W446-F451 HydrophobicContact CD2-CE1 4.21Å; W446-F451 HydrophobicContact CE3-CD1 4.26Å; W446-F451 AromaticContact CE3-CE1 3.62Å; W446-F451 HydrophobicContact CE3-CE1 3.62Å; W446-F451 HydrophobicContact CZ3-CE1 4.25Å; W446-L454 HydrophobicContact CH2-CD2 3.68Å; W446-L454 HydrophobicContact CZ2-CD2 3.35Å; W446-L472 HydrophobicContact CH2-CD1 3.7Å; W446-L472 HydrophobicContact CZ2-CD1 4Å; W446-K475 HydrophobicContact CD2-CB 3.97Å; W446-K475 HydrophobicContact CD2-CD 3.99Å; W446-K475 HydrophobicContact CE3-CB 3.79Å; W446-K475 HydrophobicContact CG-CD 4.23Å; W446-K475 HydrophobicContact CH2-CB 3.78Å; W446-K475 HydrophobicContact CZ2-CB 3.9Å; W446-K475 HydrophobicContact CZ2-CD 4.07Å; W446-K475 HydrophobicContact CZ3-CB 3.72Å; W446-L476 HydrophobicContact CH2-CD2 3.98Å; W446-L476 HydrophobicContact CH2-CG 3.87Å; W446-L476 HydrophobicContact CZ3-CB 4.47Å; W446-L476 HydrophobicContact CZ3-CD2 3.65Å; W446-L476 HydrophobicContact CZ3-CG 3.79Å; W446-K479 HydrophobicContact CB-CD 4.42Å; W446-K479 HydrophobicContact CB-CG 4.18Å; W446-K479 HydrophobicContact CE3-CG 4.1Å; W446-K479 WeakPolarHBondContact O-CE 3.47Å; W446-K479 PolarHBondContact O-NZ 2.95Å; W446-L492 HydrophobicContact CH2-CD2 4.43Å; W446-L492 HydrophobicContact CZ3-CD2 4.41Å | ||
| 447 | K | 90.8 | Very high | 94.3 | Very high | 63 Ų | 63 | 30.3 Ų | 30.3 | 27% | 0.274 | 15% | 0.154 | S | C | . | . | trans | -133 | 177.4 | 172.7 | 59.2 | 175.7 | -166.9 | 179.4 | 0 | 110 | L407 A409 T412 P445 E449 I450 F451 | L407-K447 WeakPolarHBondContact O-CE 3.49Å; L407-K447 PolarHBondContact O-NZ 3.29Å; A409-K447 PolarHBondContact O-NZ 3.21Å; T412-K447 PolarHBondContact OG1-NZ 2.7Å; P445-K447 PolarHBondContact O-N 3.36Å; K447-E449 VanDerWaalsContact C-N 3.31Å; K447-E449 WeakPolarHBondContact CD-OE2 3.5Å; K447-E449 WeakPolarHBondContact CE-OE2 3.47Å; K447-E449 WeakPolarHBondContact CG-OE2 3.43Å; K447-E449 IonicContact NZ-OE2 2.59Å; K447-E449 PolarHBondContact O-N 3.39Å; K447-I450 HydrophobicContact CG-CD1 4.39Å; K447-I450 HydrophobicContact CG-CG1 4.07Å; K447-I450 WeakPolarHBondContact O-CB 3.34Å; K447-I450 PolarHBondContact O-N 3.33Å; K447-I450 VanDerWaalsContact O-N 3.09Å; K447-F451 PolarHBondContact O-N 3.13Å | ||
| 448 | E | 92 | Very high | 94.5 | Very high | 100 Ų | 100 | 30.3 Ų | 30.3 | 47% | 0.467 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -56.9 | -41.7 | -170.5 | -174.5 | 140 | -138.2 | 0 | 0 | 113.4 | I450 F451 S486 A488 | E448-I450 VanDerWaalsContact C-N 3.26Å; E448-I450 PolarHBondContact O-N 3.09Å; E448-F451 WeakPolarHBondContact O-CB 3.26Å; E448-F451 PolarHBondContact O-N 2.82Å; E448-F451 VanDerWaalsContact O-N 3.1Å; E448-S486 PolarHBondContact OE1-OG 3.41Å; E448-A488 HydrophobicContact CG-CB 4.3Å |
| 449 | E | 94.3 | Very high | 94.5 | Very high | 39 Ų | 39 | 33.7 Ų | 33.7 | 18% | 0.182 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.3 | -34.8 | -179.6 | -61.7 | 73 | -142.8 | 0 | 0 | 112.1 | L407 T412 T417 K447 F451 L452 V453 | L407-E449 HydrophobicContact CD2-CB 4.1Å; T412-E449 HydrophobicContact CG2-CB 4.46Å; T412-E449 HydrophobicContact CG2-CG 4.02Å; T417-E449 HydrophobicContact CG2-CB 3.43Å; T417-E449 VanDerWaalsContact CG2-CB 3.43Å; T417-E449 HydrophobicContact CG2-CG 3.47Å; T417-E449 VanDerWaalsContact CG2-CG 3.47Å; K447-E449 VanDerWaalsContact C-N 3.31Å; K447-E449 WeakPolarHBondContact CD-OE2 3.5Å; K447-E449 WeakPolarHBondContact CE-OE2 3.47Å; K447-E449 WeakPolarHBondContact CG-OE2 3.43Å; K447-E449 IonicContact NZ-OE2 2.59Å; K447-E449 PolarHBondContact O-N 3.39Å; E449-F451 VanDerWaalsContact C-N 3.32Å; E449-F451 PolarHBondContact O-N 3.44Å; E449-L452 PolarHBondContact O-N 2.97Å; E449-V453 PolarHBondContact O-N 3.22Å |
| 450 | I | 94.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.4 | -35.3 | 179.2 | -60.5 | -165.4 | 0 | 0 | 0 | 110.6 | L407 I441 L444 P445 W446 K447 E448 L452 V453 L454 | L407-I450 HydrophobicContact CD1-CG1 4.32Å; L407-I450 HydrophobicContact CD2-CG1 4.17Å; I441-I450 HydrophobicContact CG2-CG2 3.8Å; L444-I450 HydrophobicContact CB-CD1 3.63Å; L444-I450 HydrophobicContact CD1-CD1 4.2Å; P445-I450 WeakPolarHBondContact O-CD1 3.4Å; W446-I450 HydrophobicContact CG-CG2 4.33Å; K447-I450 HydrophobicContact CG-CD1 4.39Å; K447-I450 HydrophobicContact CG-CG1 4.07Å; K447-I450 WeakPolarHBondContact O-CB 3.34Å; K447-I450 PolarHBondContact O-N 3.33Å; K447-I450 VanDerWaalsContact O-N 3.09Å; E448-I450 VanDerWaalsContact C-N 3.26Å; E448-I450 PolarHBondContact O-N 3.09Å; I450-L452 VanDerWaalsContact C-N 3.31Å; I450-L452 PolarHBondContact O-N 3.35Å; I450-V453 PolarHBondContact O-N 3.02Å; I450-L454 WeakPolarHBondContact O-CB 3.47Å; I450-L454 PolarHBondContact O-N 2.97Å |
| 451 | F | 95.4 | Very high | 94.5 | Very high | 10 Ų | 10 | 40.8 Ų | 40.8 | 4% | 0.044 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62 | -41.5 | 178.3 | -55 | -40.1 | 0 | 0 | 0 | 111.5 | W446 K447 E448 E449 Q455 K479 A483 A488 Y489 L492 | W446-F451 HydrophobicContact CB-CE1 4.2Å; W446-F451 HydrophobicContact CD2-CE1 4.21Å; W446-F451 HydrophobicContact CE3-CD1 4.26Å; W446-F451 AromaticContact CE3-CE1 3.62Å; W446-F451 HydrophobicContact CE3-CE1 3.62Å; W446-F451 HydrophobicContact CZ3-CE1 4.25Å; K447-F451 PolarHBondContact O-N 3.13Å; E448-F451 WeakPolarHBondContact O-CB 3.26Å; E448-F451 PolarHBondContact O-N 2.82Å; E448-F451 VanDerWaalsContact O-N 3.1Å; E449-F451 VanDerWaalsContact C-N 3.32Å; E449-F451 PolarHBondContact O-N 3.44Å; F451-Q455 WeakPolarHBondContact O-CB 3.4Å; F451-Q455 PolarHBondContact O-N 2.96Å; F451-K479 HydrophobicContact CZ-CB 4.46Å; F451-A483 HydrophobicContact CE2-CB 4.42Å; F451-A488 HydrophobicContact CB-CB 3.85Å; F451-A488 HydrophobicContact CD2-CB 4.4Å; F451-Y489 HydrophobicContact CD1-CD2 4.34Å; F451-Y489 AromaticContact CE1-CD2 3.99Å; F451-Y489 HydrophobicContact CE1-CD2 3.99Å; F451-Y489 HydrophobicContact CE2-CD2 4.3Å; F451-Y489 AromaticContact CZ-CD2 3.98Å; F451-Y489 HydrophobicContact CZ-CD2 3.98Å; F451-L492 HydrophobicContact CB-CD2 4.19Å; F451-L492 HydrophobicContact CD1-CD2 3.77Å; F451-L492 HydrophobicContact CG-CD2 4.36Å |
| 452 | L | 96.6 | Very high | 94.5 | Very high | 58 Ų | 58 | 40.9 Ų | 40.9 | 30% | 0.304 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.5 | -48.4 | 179.2 | -64.6 | 173.5 | 0 | 0 | 0 | 112 | E449 I450 Q455 S456 A488 | E449-L452 PolarHBondContact O-N 2.97Å; I450-L452 VanDerWaalsContact C-N 3.31Å; I450-L452 PolarHBondContact O-N 3.35Å; L452-Q455 PolarHBondContact O-N 3.39Å; L452-S456 WeakPolarHBondContact O-CB 3.41Å; L452-S456 PolarHBondContact O-N 3.44Å; L452-S456 PolarHBondContact O-OG 2.88Å; L452-S456 VanDerWaalsContact O-OG 3.11Å; L452-A488 HydrophobicContact CD2-CB 3.53Å; L452-A488 HydrophobicContact CG-CB 3.83Å |
| 453 | V | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.8 | -42.4 | -177.9 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | L403 L407 L420 V424 I441 E449 I450 S456 L457 | L403-V453 HydrophobicContact CD1-CG1 3.68Å; L407-V453 HydrophobicContact CD2-CG2 4.17Å; L420-V453 HydrophobicContact CB-CG1 4.47Å; L420-V453 HydrophobicContact CB-CG2 3.78Å; L420-V453 HydrophobicContact CD1-CG2 4.2Å; V424-V453 HydrophobicContact CG1-CG1 4.08Å; V424-V453 HydrophobicContact CG2-CG1 4.34Å; I441-V453 HydrophobicContact CD1-CG1 4.25Å; E449-V453 PolarHBondContact O-N 3.22Å; I450-V453 PolarHBondContact O-N 3.02Å; V453-S456 PolarHBondContact O-N 3.48Å; V453-L457 PolarHBondContact O-N 2.97Å |
| 454 | L | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.1 | -42.2 | 175.9 | -177.4 | 58 | 0 | 0 | 0 | 111.4 | L438 I441 L442 W446 I450 L457 L458 L472 L492 | L438-L454 HydrophobicContact CD1-CD1 3.44Å; L438-L454 VanDerWaalsContact CD1-CD1 3.44Å; I441-L454 HydrophobicContact CG2-CB 4.1Å; I441-L454 HydrophobicContact CG2-CD1 4.03Å; I441-L454 HydrophobicContact CG2-CG 4.45Å; L442-L454 HydrophobicContact CD2-CD2 4.42Å; W446-L454 HydrophobicContact CH2-CD2 3.68Å; W446-L454 HydrophobicContact CZ2-CD2 3.35Å; I450-L454 WeakPolarHBondContact O-CB 3.47Å; I450-L454 PolarHBondContact O-N 2.97Å; L454-L457 PolarHBondContact O-N 3.35Å; L454-L458 HydrophobicContact CD1-CD1 4.07Å; L454-L458 HydrophobicContact CD1-CG 4.02Å; L454-L458 HydrophobicContact CG-CD1 3.99Å; L454-L458 HydrophobicContact CG-CG 4.31Å; L454-L458 WeakPolarHBondContact O-CB 3.16Å; L454-L458 VanDerWaalsContact O-CG 3.27Å; L454-L458 WeakPolarHBondContact O-CG 3.37Å; L454-L458 PolarHBondContact O-N 2.75Å; L454-L472 HydrophobicContact CD2-CD1 3.8Å; L454-L492 HydrophobicContact CB-CD1 4.4Å; L454-L492 HydrophobicContact CD2-CD1 4.21Å; L454-L492 HydrophobicContact CD2-CD2 3.98Å; L454-L492 HydrophobicContact CG-CD1 3.97Å; L454-L492 HydrophobicContact CG-CD2 4.49Å |
| 455 | Q | 97.1 | Very high | 94.2 | Very high | 22 Ų | 22 | 44 Ų | 44 | 10% | 0.103 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.8 | -46.2 | 176.5 | -172.6 | -84.6 | -21.5 | 0 | 0 | 110.9 | F451 L452 L457 L458 E459 K491 L492 T495 | F451-Q455 WeakPolarHBondContact O-CB 3.4Å; F451-Q455 PolarHBondContact O-N 2.96Å; L452-Q455 PolarHBondContact O-N 3.39Å; Q455-L457 VanDerWaalsContact C-N 3.29Å; Q455-L457 PolarHBondContact O-N 3.46Å; Q455-L458 PolarHBondContact O-N 3.13Å; Q455-E459 VanDerWaalsContact NE2-CG 3.35Å; Q455-E459 PolarHBondContact NE2-OE1 2.95Å; Q455-E459 WeakPolarHBondContact O-CG 3.41Å; Q455-E459 PolarHBondContact O-N 3.32Å; Q455-K491 HydrophobicContact CG-CB 4.42Å; Q455-L492 HydrophobicContact CB-CB 4.14Å; Q455-L492 HydrophobicContact CB-CD1 3.99Å; Q455-L492 HydrophobicContact CG-CB 4.38Å; Q455-T495 PolarHBondContact NE2-OG1 3.34Å; Q455-T495 VanDerWaalsContact NE2-OG1 3.14Å |
| 456 | S | 97.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.6 | -38.2 | 176.1 | -73.4 | 0 | 0 | 0 | 0 | 113.1 | C421 K425 L452 V453 | C421-S456 PolarHBondContact SG-OG 3.03Å; K425-S456 VanDerWaalsContact CE-CB 3.46Å; K425-S456 WeakPolarHBondContact CE-OG 3.46Å; K425-S456 PolarHBondContact NZ-OG 3.48Å; K425-S456 VanDerWaalsContact NZ-OG 3.16Å; L452-S456 WeakPolarHBondContact O-CB 3.41Å; L452-S456 PolarHBondContact O-N 3.44Å; L452-S456 PolarHBondContact O-OG 2.88Å; L452-S456 VanDerWaalsContact O-OG 3.11Å; V453-S456 PolarHBondContact O-N 3.48Å |
| 457 | L | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.6 | -47.6 | 175.1 | -178.6 | 60.7 | 0 | 0 | 0 | 111.3 | V424 Q434 M437 L438 I441 V453 L454 Q455 E459 R460 V462 | V424-L457 HydrophobicContact CB-CB 4.44Å; V424-L457 HydrophobicContact CB-CD1 4.38Å; V424-L457 HydrophobicContact CG2-CB 4.4Å; Q434-L457 HydrophobicContact CB-CD1 4.11Å; Q434-L457 HydrophobicContact CG-CD1 4.25Å; M437-L457 HydrophobicContact CB-CD2 4.37Å; L438-L457 HydrophobicContact CB-CD2 3.88Å; L438-L457 HydrophobicContact CD1-CD2 4.35Å; I441-L457 HydrophobicContact CD1-CD2 3.71Å; V453-L457 PolarHBondContact O-N 2.97Å; L454-L457 PolarHBondContact O-N 3.35Å; Q455-L457 VanDerWaalsContact C-N 3.29Å; Q455-L457 PolarHBondContact O-N 3.46Å; L457-E459 VanDerWaalsContact C-N 3.28Å; L457-E459 PolarHBondContact O-N 3.09Å; L457-R460 VanDerWaalsContact O-CB 3.27Å; L457-R460 WeakPolarHBondContact O-CB 3.1Å; L457-R460 PolarHBondContact O-N 3.47Å; L457-R460 VanDerWaalsContact O-N 3.09Å; L457-V462 HydrophobicContact CD1-CG2 3.78Å; L457-V462 HydrophobicContact CG-CG2 3.84Å; L457-V462 WeakPolarHBondContact O-CG2 3.32Å |
| 458 | L | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.2 | -24.8 | -177.6 | -69.4 | -178.1 | 0 | 0 | 0 | 113.6 | L438 L454 Q455 R460 Q461 M464 L472 L492 T495 V496 Y500 | L438-L458 HydrophobicContact CD1-CD2 4.07Å; L438-L458 HydrophobicContact CD2-CD2 4.48Å; L454-L458 HydrophobicContact CD1-CD1 4.07Å; L454-L458 HydrophobicContact CD1-CG 4.02Å; L454-L458 HydrophobicContact CG-CD1 3.99Å; L454-L458 HydrophobicContact CG-CG 4.31Å; L454-L458 WeakPolarHBondContact O-CB 3.16Å; L454-L458 VanDerWaalsContact O-CG 3.27Å; L454-L458 WeakPolarHBondContact O-CG 3.37Å; L454-L458 PolarHBondContact O-N 2.75Å; Q455-L458 PolarHBondContact O-N 3.13Å; L458-R460 PolarHBondContact O-N 2.91Å; L458-R460 VanDerWaalsContact O-N 3.17Å; L458-Q461 PolarHBondContact O-N 3.36Å; L458-M464 HydrophobicContact CD2-CE 3.75Å; L458-M464 HydrophobicContact CD2-SD 4.27Å; L458-L472 HydrophobicContact CD1-CD1 4.32Å; L458-L472 HydrophobicContact CD1-CD2 4.12Å; L458-L492 HydrophobicContact CD1-CD1 3.82Å; L458-T495 HydrophobicContact CB-CG2 4.24Å; L458-V496 HydrophobicContact CD1-CG2 3.84Å; L458-Y500 HydrophobicContact CB-CE2 4.04Å; L458-Y500 HydrophobicContact CD2-CE2 4.18Å; L458-Y500 WeakPolarHBondContact CD2-OH 3.37Å; L458-Y500 PolarHBondContact O-OH 3.5Å |
| 459 | E | 96.1 | Very high | 94.5 | Very high | 71 Ų | 71 | 44.7 Ų | 44.7 | 33% | 0.332 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -30.1 | 170.3 | -83 | -178.7 | 153.7 | 0 | 0 | 112.3 | K425 Q455 L457 Q461 T495 K499 | K425-E459 WeakPolarHBondContact CE-OE2 3.28Å; K425-E459 IonicContact NZ-OE2 3.38Å; K425-E459 PolarHBondContact NZ-OE2 2.89Å; Q455-E459 VanDerWaalsContact NE2-CG 3.35Å; Q455-E459 PolarHBondContact NE2-OE1 2.95Å; Q455-E459 WeakPolarHBondContact O-CG 3.41Å; Q455-E459 PolarHBondContact O-N 3.32Å; L457-E459 VanDerWaalsContact C-N 3.28Å; L457-E459 PolarHBondContact O-N 3.09Å; E459-Q461 PolarHBondContact O-N 3.46Å; E459-T495 HydrophobicContact CG-CG2 4.25Å; E459-K499 WeakPolarHBondContact O-CE 3.39Å; E459-K499 PolarHBondContact O-NZ 3.5Å |
| 460 | R | 93.6 | Very high | 94.5 | Very high | 71 Ų | 71 | 45.5 Ų | 45.5 | 27% | 0.268 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -1.9 | 178.2 | -54.1 | -173.5 | 67.6 | 158.2 | 2.6 | 114.4 | V424 K425 A426 L457 L458 | V424-R460 VanDerWaalsContact O-CD 3.31Å; V424-R460 WeakPolarHBondContact O-CD 3.5Å; V424-R460 PolarHBondContact O-NH1 3.34Å; K425-R460 PolarHBondContact O-NH1 3.44Å; A426-R460 PolarHBondContact O-NH1 3.16Å; A426-R460 PolarHBondContact O-NH2 3.15Å; A426-R460 VanDerWaalsContact O-NH2 3.12Å; L457-R460 VanDerWaalsContact O-CB 3.27Å; L457-R460 WeakPolarHBondContact O-CB 3.1Å; L457-R460 PolarHBondContact O-N 3.47Å; L457-R460 VanDerWaalsContact O-N 3.09Å; L458-R460 PolarHBondContact O-N 2.91Å; L458-R460 VanDerWaalsContact O-N 3.17Å |
| 461 | Q | 92.2 | Very high | 94.5 | Very high | 126 Ų | 126 | 48.1 Ų | 48.1 | 59% | 0.589 | 25% | 0.246 | S | C | * | . | trans | 59.4 | 55 | -178 | -63.1 | 175.5 | 87.5 | 0 | 0 | 112.5 | L458 E459 E463 K499 Y500 | L458-Q461 PolarHBondContact O-N 3.36Å; E459-Q461 PolarHBondContact O-N 3.46Å; Q461-E463 PolarHBondContact O-N 2.95Å; Q461-K499 HydrophobicContact CG-CB 4.44Å; Q461-K499 HydrophobicContact CG-CD 4.06Å; Q461-K499 HydrophobicContact CG-CG 4.48Å; Q461-Y500 VanDerWaalsContact CA-OH 3.31Å; Q461-Y500 WeakPolarHBondContact CA-OH 3.31Å | ||
| 462 | V | 93.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | trans | -64.8 | 130.7 | 177.4 | -174.9 | 0 | 0 | 0 | 0 | 110.1 | Q434 V435 L438 L457 M464 Y500 | Q434-V462 HydrophobicContact CB-CG1 3.9Å; Q434-V462 HydrophobicContact CB-CG2 3.91Å; V435-V462 HydrophobicContact CG2-CG1 3.81Å; L438-V462 HydrophobicContact CD2-CG1 4.15Å; L457-V462 HydrophobicContact CD1-CG2 3.78Å; L457-V462 HydrophobicContact CG-CG2 3.84Å; L457-V462 WeakPolarHBondContact O-CG2 3.32Å; V462-M464 PolarHBondContact O-N 2.91Å; V462-Y500 PolarHBondContact N-OH 3.32Å; V462-Y500 WeakPolarHBondContact O-CE1 3.44Å; V462-Y500 PolarHBondContact O-OH 2.83Å | ||
| 463 | E | 91.4 | Very high | 94.5 | Very high | 161 Ų | 161 | 45 Ų | 45 | 75% | 0.752 | 23% | 0.23 | S | C | * | . | trans | -62.8 | 129.9 | 175.6 | -66.4 | -176.7 | -178.1 | 0 | 0 | 111.1 | V435 Q461 | V435-E463 WeakPolarHBondContact CG2-O 3.38Å; Q461-E463 PolarHBondContact O-N 2.95Å | ||
| 464 | M | 91.8 | Very high | 94.3 | Very high | 24 Ų | 24 | 49.6 Ų | 49.6 | 12% | 0.118 | 25% | 0.252 | C | S | . | . | trans | -123.6 | 135.4 | -179.3 | -76.1 | -172.6 | -86 | 0 | 0 | 111.2 | L438 L458 V462 F469 L472 Y500 | L438-M464 HydrophobicContact CD2-CG 3.33Å; L438-M464 HydrophobicContact CD2-SD 3.59Å; L438-M464 VanDerWaalsContact CD2-SD 3.59Å; L458-M464 HydrophobicContact CD2-CE 3.75Å; L458-M464 HydrophobicContact CD2-SD 4.27Å; V462-M464 PolarHBondContact O-N 2.91Å; M464-F469 HydrophobicContact CB-CB 4.43Å; M464-F469 HydrophobicContact CE-CD2 3.77Å; M464-F469 HydrophobicContact CE-CE2 4.18Å; M464-F469 HydrophobicContact SD-CD2 3.99Å; M464-L472 HydrophobicContact CE-CD2 4.09Å; M464-L472 HydrophobicContact SD-CD2 4Å; M464-Y500 HydrophobicContact CE-CD1 3.28Å; M464-Y500 HydrophobicContact CE-CD2 4.3Å; M464-Y500 HydrophobicContact CE-CE1 3.04Å; M464-Y500 HydrophobicContact CE-CE2 4.11Å; M464-Y500 HydrophobicContact CE-CG 3.91Å; M464-Y500 VanDerWaalsContact CE-CZ 3.48Å | ||
| 465 | T | 91.6 | Very high | 94.2 | Very high | 64 Ų | 64 | 52 Ų | 52 | 39% | 0.393 | 26% | 0.262 | S | S | . | . | trans | -71.1 | 153.7 | 165.7 | 75.6 | 0 | 0 | 0 | 0 | 110 | E467 K468 F469 | T465-E467 WeakPolarHBondContact CB-OE2 3.38Å; T465-E467 PolarHBondContact O-N 3.46Å; T465-E467 VanDerWaalsContact O-N 3.15Å; T465-E467 PolarHBondContact OG1-OE2 3.16Å; T465-K468 PolarHBondContact O-N 2.97Å; T465-K468 VanDerWaalsContact O-N 3.16Å; T465-K468 PolarHBondContact OG1-N 3.09Å; T465-F469 PolarHBondContact O-N 3.29Å | ||
| 466 | P | 91.1 | Very high | 94.1 | Very high | 99 Ų | 99 | 51 Ų | 51 | 64% | 0.643 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -54.3 | -33.9 | 177.8 | -26.8 | 35.8 | 0 | 0 | 0 | 113.1 | F469 S470 | P466-F469 PolarHBondContact O-N 2.92Å; P466-S470 WeakPolarHBondContact O-CB 3.43Å; P466-S470 PolarHBondContact O-N 3.38Å |
| 467 | E | 92.3 | Very high | 93.8 | Very high | 126 Ų | 126 | 52.2 Ų | 52.2 | 59% | 0.589 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -69.2 | -46.2 | 179.9 | -53.6 | 73.3 | -156.4 | 0 | 0 | 111.4 | T465 F469 S470 V471 | T465-E467 WeakPolarHBondContact CB-OE2 3.38Å; T465-E467 PolarHBondContact O-N 3.46Å; T465-E467 VanDerWaalsContact O-N 3.15Å; T465-E467 PolarHBondContact OG1-OE2 3.16Å; E467-F469 VanDerWaalsContact C-N 3.3Å; E467-F469 PolarHBondContact O-N 3.42Å; E467-S470 WeakPolarHBondContact O-CB 3.28Å; E467-S470 PolarHBondContact O-N 3.08Å; E467-V471 WeakPolarHBondContact O-CG2 3.32Å; E467-V471 PolarHBondContact O-N 3.47Å; E467-V471 VanDerWaalsContact O-N 3.09Å |
| 468 | K | 92.5 | Very high | 93.6 | Very high | 56 Ų | 56 | 58.8 Ų | 58.8 | 24% | 0.243 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64 | -39.7 | 175.7 | -76.2 | -172.2 | 173.5 | -178.2 | 0 | 111.1 | V435 L442 T465 V471 L472 | V435-K468 PolarHBondContact O-NZ 3.34Å; L442-K468 HydrophobicContact CD1-CB 4.27Å; T465-K468 PolarHBondContact O-N 2.97Å; T465-K468 VanDerWaalsContact O-N 3.16Å; T465-K468 PolarHBondContact OG1-N 3.09Å; K468-V471 PolarHBondContact O-N 3.12Å; K468-L472 PolarHBondContact O-N 3.25Å |
| 469 | F | 95.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.018 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 176.2 | -167.9 | -101.2 | 0 | 0 | 0 | 111.6 | M464 T465 P466 E467 V471 L472 M473 V496 Y500 N503 I504 | M464-F469 HydrophobicContact CB-CB 4.43Å; M464-F469 HydrophobicContact CE-CD2 3.77Å; M464-F469 HydrophobicContact CE-CE2 4.18Å; M464-F469 HydrophobicContact SD-CD2 3.99Å; T465-F469 PolarHBondContact O-N 3.29Å; P466-F469 PolarHBondContact O-N 2.92Å; E467-F469 VanDerWaalsContact C-N 3.3Å; E467-F469 PolarHBondContact O-N 3.42Å; F469-V471 VanDerWaalsContact C-N 3.34Å; F469-V471 PolarHBondContact O-N 2.8Å; F469-L472 HydrophobicContact CD2-CD2 4.14Å; F469-L472 HydrophobicContact CE2-CD2 4.17Å; F469-L472 WeakPolarHBondContact O-CB 3.36Å; F469-L472 PolarHBondContact O-N 3.43Å; F469-M473 HydrophobicContact CD1-CG 3.85Å; F469-M473 HydrophobicContact CE1-CG 3.51Å; F469-M473 HydrophobicContact CE1-SD 3.9Å; F469-M473 HydrophobicContact CE2-SD 4.39Å; F469-M473 HydrophobicContact CZ-CG 3.93Å; F469-M473 HydrophobicContact CZ-SD 3.73Å; F469-M473 VanDerWaalsContact O-CG 3.28Å; F469-M473 WeakPolarHBondContact O-CG 3.46Å; F469-M473 PolarHBondContact O-N 3.5Å; F469-V496 HydrophobicContact CE2-CG1 4.34Å; F469-V496 HydrophobicContact CZ-CG1 4.35Å; F469-Y500 HydrophobicContact CE2-CD1 4.44Å; F469-Y500 HydrophobicContact CE2-CG 4.17Å; F469-N503 HydrophobicContact CD1-CB 3.95Å; F469-N503 HydrophobicContact CD2-CB 4.29Å; F469-N503 HydrophobicContact CE1-CB 3.73Å; F469-N503 WeakPolarHBondContact CE1-O 3.36Å; F469-N503 HydrophobicContact CE2-CB 4.09Å; F469-N503 HydrophobicContact CG-CB 4.22Å; F469-N503 HydrophobicContact CZ-CB 3.8Å; F469-I504 HydrophobicContact CE1-CG1 4.07Å; F469-I504 HydrophobicContact CZ-CG1 3.74Å |
| 470 | S | 93.9 | Very high | 92.5 | Very high | 55 Ų | 55 | 59.3 Ų | 59.3 | 39% | 0.385 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.4 | -45.7 | 173.8 | -177.8 | 0 | 0 | 0 | 0 | 112.1 | P466 E467 L472 M473 E474 | P466-S470 WeakPolarHBondContact O-CB 3.43Å; P466-S470 PolarHBondContact O-N 3.38Å; E467-S470 WeakPolarHBondContact O-CB 3.28Å; E467-S470 PolarHBondContact O-N 3.08Å; S470-L472 VanDerWaalsContact C-N 3.35Å; S470-L472 PolarHBondContact O-N 3.32Å; S470-M473 PolarHBondContact O-N 2.9Å; S470-E474 WeakPolarHBondContact O-CB 3.48Å; S470-E474 PolarHBondContact O-N 2.96Å |
| 471 | V | 95.4 | Very high | 91.8 | Very high | 57 Ų | 57 | 61.9 Ų | 61.9 | 35% | 0.345 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 177 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | L442 E467 K468 F469 E474 K475 | L442-V471 HydrophobicContact CB-CG1 4.49Å; E467-V471 WeakPolarHBondContact O-CG2 3.32Å; E467-V471 PolarHBondContact O-N 3.47Å; E467-V471 VanDerWaalsContact O-N 3.09Å; K468-V471 PolarHBondContact O-N 3.12Å; F469-V471 VanDerWaalsContact C-N 3.34Å; F469-V471 PolarHBondContact O-N 2.8Å; V471-E474 PolarHBondContact O-N 3.21Å; V471-K475 WeakPolarHBondContact O-CB 3.37Å; V471-K475 WeakPolarHBondContact O-CG 3.47Å; V471-K475 PolarHBondContact O-N 3.34Å |
| 472 | L | 96.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.1 | -50.5 | 174.8 | 174.9 | 72.1 | 0 | 0 | 0 | 110.9 | L442 W446 L454 L458 M464 K468 F469 S470 K475 L476 V496 | L442-L472 HydrophobicContact CD2-CB 4.11Å; L442-L472 HydrophobicContact CD2-CD1 3.82Å; W446-L472 HydrophobicContact CH2-CD1 3.7Å; W446-L472 HydrophobicContact CZ2-CD1 4Å; L454-L472 HydrophobicContact CD2-CD1 3.8Å; L458-L472 HydrophobicContact CD1-CD1 4.32Å; L458-L472 HydrophobicContact CD1-CD2 4.12Å; M464-L472 HydrophobicContact CE-CD2 4.09Å; M464-L472 HydrophobicContact SD-CD2 4Å; K468-L472 PolarHBondContact O-N 3.25Å; F469-L472 HydrophobicContact CD2-CD2 4.14Å; F469-L472 HydrophobicContact CE2-CD2 4.17Å; F469-L472 WeakPolarHBondContact O-CB 3.36Å; F469-L472 PolarHBondContact O-N 3.43Å; S470-L472 VanDerWaalsContact C-N 3.35Å; S470-L472 PolarHBondContact O-N 3.32Å; L472-K475 PolarHBondContact O-N 3.41Å; L472-L476 HydrophobicContact CD1-CD1 4.15Å; L472-L476 HydrophobicContact CD1-CG 4.49Å; L472-L476 HydrophobicContact CG-CD1 3.92Å; L472-L476 WeakPolarHBondContact O-CG 3.41Å; L472-L476 PolarHBondContact O-N 2.96Å; L472-V496 HydrophobicContact CD2-CG2 4.09Å |
| 473 | M | 95.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.4 | -42.3 | -178.2 | -66.6 | -54.3 | -72.4 | 0 | 0 | 112.5 | F469 S470 K475 L476 C477 V496 I504 Q508 L512 | F469-M473 HydrophobicContact CD1-CG 3.85Å; F469-M473 HydrophobicContact CE1-CG 3.51Å; F469-M473 HydrophobicContact CE1-SD 3.9Å; F469-M473 HydrophobicContact CE2-SD 4.39Å; F469-M473 HydrophobicContact CZ-CG 3.93Å; F469-M473 HydrophobicContact CZ-SD 3.73Å; F469-M473 VanDerWaalsContact O-CG 3.28Å; F469-M473 WeakPolarHBondContact O-CG 3.46Å; F469-M473 PolarHBondContact O-N 3.5Å; S470-M473 PolarHBondContact O-N 2.9Å; M473-K475 PolarHBondContact O-N 2.9Å; M473-L476 PolarHBondContact O-N 3.34Å; M473-L476 HydrophobicContact SD-CD1 4.22Å; M473-C477 PolarHBondContact O-N 3.27Å; M473-C477 PolarHBondContact O-SG 2.71Å; M473-V496 HydrophobicContact SD-CG1 3.86Å; M473-I504 HydrophobicContact CE-CG1 4.25Å; M473-I504 HydrophobicContact CE-CG2 4.32Å; M473-Q508 HydrophobicContact CB-CG 4.06Å; M473-Q508 HydrophobicContact CE-CB 3.78Å; M473-Q508 HydrophobicContact CE-CG 4.44Å; M473-Q508 HydrophobicContact CG-CG 4.26Å; M473-L512 HydrophobicContact CE-CD1 3.63Å; M473-L512 HydrophobicContact CE-CD2 3.74Å; M473-L512 HydrophobicContact CE-CG 3.65Å |
| 474 | E | 93.9 | Very high | 91.1 | Very high | 96 Ų | 96 | 54.5 Ų | 54.5 | 45% | 0.449 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 176 | -173.9 | -171.6 | 162.2 | 0 | 0 | 111.2 | S470 V471 C477 K478 | S470-E474 WeakPolarHBondContact O-CB 3.48Å; S470-E474 PolarHBondContact O-N 2.96Å; V471-E474 PolarHBondContact O-N 3.21Å; E474-C477 PolarHBondContact O-N 3.15Å; E474-K478 HydrophobicContact CG-CD 4.13Å; E474-K478 WeakPolarHBondContact O-CB 3.27Å; E474-K478 VanDerWaalsContact O-CG 3.29Å; E474-K478 WeakPolarHBondContact O-CG 3.41Å; E474-K478 PolarHBondContact O-N 3.35Å; E474-K478 WeakPolarHBondContact OE1-CE 3.34Å; E474-K478 IonicContact OE1-NZ 3.14Å; E474-K478 PolarHBondContact OE1-NZ 3.25Å |
| 475 | K | 94.3 | Very high | 91.1 | Very high | 51 Ų | 51 | 58.5 Ų | 58.5 | 22% | 0.222 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 178.5 | -76 | -165 | 168.5 | -166.7 | 0 | 112.4 | L442 L444 W446 V471 L472 M473 K478 K479 | L442-K475 VanDerWaalsContact O-CE 3.28Å; L442-K475 WeakPolarHBondContact O-CE 3.31Å; L442-K475 PolarHBondContact O-NZ 3.5Å; L444-K475 PolarHBondContact O-NZ 2.88Å; W446-K475 HydrophobicContact CD2-CB 3.97Å; W446-K475 HydrophobicContact CD2-CD 3.99Å; W446-K475 HydrophobicContact CE3-CB 3.79Å; W446-K475 HydrophobicContact CG-CD 4.23Å; W446-K475 HydrophobicContact CH2-CB 3.78Å; W446-K475 HydrophobicContact CZ2-CB 3.9Å; W446-K475 HydrophobicContact CZ2-CD 4.07Å; W446-K475 HydrophobicContact CZ3-CB 3.72Å; V471-K475 WeakPolarHBondContact O-CB 3.37Å; V471-K475 WeakPolarHBondContact O-CG 3.47Å; V471-K475 PolarHBondContact O-N 3.34Å; L472-K475 PolarHBondContact O-N 3.41Å; M473-K475 PolarHBondContact O-N 2.9Å; K475-K478 PolarHBondContact O-N 3.12Å; K475-K479 WeakPolarHBondContact O-CB 3.27Å; K475-K479 WeakPolarHBondContact O-CG 3.4Å; K475-K479 PolarHBondContact O-N 3.2Å |
| 476 | L | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.2 | -54.1 | 174.9 | -74.1 | 166.3 | 0 | 0 | 0 | 110.8 | W446 L472 M473 K478 K479 G480 Y489 L492 M493 V496 | W446-L476 HydrophobicContact CH2-CD2 3.98Å; W446-L476 HydrophobicContact CH2-CG 3.87Å; W446-L476 HydrophobicContact CZ3-CB 4.47Å; W446-L476 HydrophobicContact CZ3-CD2 3.65Å; W446-L476 HydrophobicContact CZ3-CG 3.79Å; L472-L476 HydrophobicContact CD1-CD1 4.15Å; L472-L476 HydrophobicContact CD1-CG 4.49Å; L472-L476 HydrophobicContact CG-CD1 3.92Å; L472-L476 WeakPolarHBondContact O-CG 3.41Å; L472-L476 PolarHBondContact O-N 2.96Å; M473-L476 PolarHBondContact O-N 3.34Å; M473-L476 HydrophobicContact SD-CD1 4.22Å; L476-K478 VanDerWaalsContact C-N 3.3Å; L476-K478 PolarHBondContact O-N 3.37Å; L476-K479 PolarHBondContact O-N 3.43Å; L476-K479 VanDerWaalsContact O-N 3.13Å; L476-G480 PolarHBondContact O-N 3.14Å; L476-Y489 HydrophobicContact CD2-CE2 3.94Å; L476-Y489 PolarHBondContact O-OH 3.3Å; L476-L492 HydrophobicContact CD2-CD2 3.71Å; L476-L492 HydrophobicContact CD2-CG 3.94Å; L476-M493 HydrophobicContact CB-SD 3.9Å; L476-M493 HydrophobicContact CD1-SD 4.27Å; L476-M493 HydrophobicContact CD2-CG 4.26Å; L476-M493 HydrophobicContact CD2-SD 3.76Å; L476-M493 HydrophobicContact CG-SD 4.18Å; L476-V496 HydrophobicContact CD1-CB 4.36Å; L476-V496 HydrophobicContact CD1-CG1 4.2Å; L476-V496 HydrophobicContact CD1-CG2 4Å |
| 477 | C | 92.1 | Very high | 91.4 | Very high | 32 Ų | 32 | 54.8 Ų | 54.8 | 22% | 0.216 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.7 | -41.9 | -178.7 | -63 | 0 | 0 | 0 | 0 | 112.1 | M473 E474 G511 | M473-C477 PolarHBondContact O-N 3.27Å; M473-C477 PolarHBondContact O-SG 2.71Å; E474-C477 PolarHBondContact O-N 3.15Å; C477-G511 VanDerWaalsContact SG-C 3.5Å |
| 478 | K | 90.6 | Very high | 91.5 | Very high | 138 Ų | 138 | 49.1 Ų | 49.1 | 60% | 0.6 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -65.6 | -38.7 | 177.6 | -75.2 | 176.9 | 175.6 | 179.8 | 0 | 113 | E474 K475 L476 | E474-K478 HydrophobicContact CG-CD 4.13Å; E474-K478 WeakPolarHBondContact O-CB 3.27Å; E474-K478 VanDerWaalsContact O-CG 3.29Å; E474-K478 WeakPolarHBondContact O-CG 3.41Å; E474-K478 PolarHBondContact O-N 3.35Å; E474-K478 WeakPolarHBondContact OE1-CE 3.34Å; E474-K478 IonicContact OE1-NZ 3.14Å; E474-K478 PolarHBondContact OE1-NZ 3.25Å; K475-K478 PolarHBondContact O-N 3.12Å; L476-K478 VanDerWaalsContact C-N 3.3Å; L476-K478 PolarHBondContact O-N 3.37Å |
| 479 | K | 90 | Very high | 91.6 | Very high | 80 Ų | 80 | 46.5 Ų | 46.5 | 35% | 0.348 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -81.7 | -22.2 | -176.6 | -72.6 | -65.6 | -174.3 | 168.3 | 0 | 114 | W446 F451 K475 L476 L481 A482 A483 Y489 | W446-K479 HydrophobicContact CB-CD 4.42Å; W446-K479 HydrophobicContact CB-CG 4.18Å; W446-K479 HydrophobicContact CE3-CG 4.1Å; W446-K479 WeakPolarHBondContact O-CE 3.47Å; W446-K479 PolarHBondContact O-NZ 2.95Å; F451-K479 HydrophobicContact CZ-CB 4.46Å; K475-K479 WeakPolarHBondContact O-CB 3.27Å; K475-K479 WeakPolarHBondContact O-CG 3.4Å; K475-K479 PolarHBondContact O-N 3.2Å; L476-K479 PolarHBondContact O-N 3.43Å; L476-K479 VanDerWaalsContact O-N 3.13Å; K479-L481 PolarHBondContact O-N 2.93Å; K479-A482 PolarHBondContact O-N 2.98Å; K479-A483 WeakPolarHBondContact O-CB 3.42Å; K479-A483 PolarHBondContact O-N 3.38Å; K479-Y489 HydrophobicContact CB-CE2 4.25Å |
| 480 | G | 80.7 | Confident | 91.6 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.3 | -34.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | L476 A482 A483 Y489 | L476-G480 PolarHBondContact O-N 3.14Å; G480-A482 VanDerWaalsContact C-N 3.28Å; G480-A482 PolarHBondContact O-N 3.35Å; G480-A483 PolarHBondContact O-N 3.07Å; G480-Y489 VanDerWaalsContact CA-CZ 3.41Å; G480-Y489 WeakPolarHBondContact CA-OH 3.5Å; G480-Y489 PolarHBondContact N-OH 2.69Å |
| 481 | L | 79.4 | Confident | 91.7 | Very high | 125 Ų | 125 | 48.3 Ų | 48.3 | 65% | 0.654 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -29.3 | 177.1 | -62.9 | 177.6 | 0 | 0 | 0 | 113.3 | K479 P518 | K479-L481 PolarHBondContact O-N 2.93Å; L481-P518 HydrophobicContact CD2-CG 4.33Å |
| 482 | A | 85.7 | Confident | 91.8 | Very high | 86 Ų | 86 | 45.6 Ų | 45.6 | 71% | 0.711 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -17.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K479 G480 | K479-A482 PolarHBondContact O-N 2.98Å; G480-A482 VanDerWaalsContact C-N 3.28Å; G480-A482 PolarHBondContact O-N 3.35Å |
| 483 | A | 88.1 | Confident | 91.7 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | trans | -108.8 | 34.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F451 K479 G480 T485 S486 Y489 | F451-A483 HydrophobicContact CE2-CB 4.42Å; K479-A483 WeakPolarHBondContact O-CB 3.42Å; K479-A483 PolarHBondContact O-N 3.38Å; G480-A483 PolarHBondContact O-N 3.07Å; A483-T485 PolarHBondContact O-N 2.96Å; A483-S486 PolarHBondContact O-N 3.41Å; A483-Y489 HydrophobicContact CB-CD1 3.92Å; A483-Y489 HydrophobicContact CB-CD2 4.06Å; A483-Y489 HydrophobicContact CB-CG 3.65Å | ||
| 484 | T | 88.2 | Confident | 91.8 | Very high | 37 Ų | 37 | 47.6 Ų | 47.6 | 23% | 0.227 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -27.9 | -172.9 | 55.7 | 0 | 0 | 0 | 0 | 113.9 | P518 N519 T520 | T484-P518 WeakPolarHBondContact CB-O 3.38Å; T484-P518 HydrophobicContact CG2-CB 3.82Å; T484-P518 HydrophobicContact CG2-CG 3.93Å; T484-N519 PolarHBondContact O-ND2 2.86Å; T484-T520 PolarHBondContact O-N 3.24Å; T484-T520 PolarHBondContact O-OG1 3.36Å |
| 485 | T | 91.8 | Very high | 92 | Very high | 108 Ų | 108 | 43.6 Ų | 43.6 | 66% | 0.663 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -7.7 | 179.9 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | A483 M487 | A483-T485 PolarHBondContact O-N 2.96Å; T485-M487 PolarHBondContact O-N 3.38Å |
| 486 | S | 93.9 | Very high | 92.1 | Very high | 11 Ų | 11 | 41.1 Ų | 41.1 | 8% | 0.077 | 23% | 0.226 | C | C | . | . | trans | -77.7 | 117.6 | -175.2 | 177.3 | 0 | 0 | 0 | 0 | 111.5 | E448 A483 A488 Y489 A490 | E448-S486 PolarHBondContact OE1-OG 3.41Å; A483-S486 PolarHBondContact O-N 3.41Å; S486-A488 VanDerWaalsContact C-N 3.31Å; S486-A488 PolarHBondContact O-N 3.44Å; S486-A488 PolarHBondContact OG-N 2.68Å; S486-Y489 PolarHBondContact O-N 3.18Å; S486-Y489 PolarHBondContact OG-N 3.09Å; S486-A490 PolarHBondContact O-N 2.91Å; S486-A490 VanDerWaalsContact O-N 3.12Å | ||
| 487 | M | 94.6 | Very high | 92.1 | Very high | 74 Ų | 74 | 41.2 Ų | 41.2 | 37% | 0.365 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.1 | -33.7 | 175.5 | -171.1 | 63.7 | 171.8 | 0 | 0 | 111.7 | T485 A490 K491 L523 | T485-M487 PolarHBondContact O-N 3.38Å; M487-A490 PolarHBondContact O-N 2.94Å; M487-K491 WeakPolarHBondContact O-CG 3.23Å; M487-K491 PolarHBondContact O-N 2.76Å; M487-L523 HydrophobicContact CE-CD1 3.64Å; M487-L523 HydrophobicContact CE-CD2 4.07Å; M487-L523 HydrophobicContact CE-CG 3.61Å; M487-L523 HydrophobicContact SD-CD1 3.84Å; M487-L523 HydrophobicContact SD-CG 3.89Å |
| 488 | A | 94.3 | Very high | 92.2 | Very high | 8 Ų | 8 | 43 Ų | 43 | 7% | 0.066 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64 | -45.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E448 F451 L452 S486 K491 L492 | E448-A488 HydrophobicContact CG-CB 4.3Å; F451-A488 HydrophobicContact CB-CB 3.85Å; F451-A488 HydrophobicContact CD2-CB 4.4Å; L452-A488 HydrophobicContact CD2-CB 3.53Å; L452-A488 HydrophobicContact CG-CB 3.83Å; S486-A488 VanDerWaalsContact C-N 3.31Å; S486-A488 PolarHBondContact O-N 3.44Å; S486-A488 PolarHBondContact OG-N 2.68Å; A488-K491 PolarHBondContact O-N 2.98Å; A488-L492 WeakPolarHBondContact O-CB 3.19Å; A488-L492 PolarHBondContact O-N 3.44Å |
| 489 | Y | 95.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.2 | -44.9 | 174.1 | 177 | -97.6 | 0 | 0 | 0 | 111.9 | F451 L476 K479 G480 A483 S486 K491 L492 M493 | F451-Y489 HydrophobicContact CD1-CD2 4.34Å; F451-Y489 AromaticContact CE1-CD2 3.99Å; F451-Y489 HydrophobicContact CE1-CD2 3.99Å; F451-Y489 HydrophobicContact CE2-CD2 4.3Å; F451-Y489 AromaticContact CZ-CD2 3.98Å; F451-Y489 HydrophobicContact CZ-CD2 3.98Å; L476-Y489 HydrophobicContact CD2-CE2 3.94Å; L476-Y489 PolarHBondContact O-OH 3.3Å; K479-Y489 HydrophobicContact CB-CE2 4.25Å; G480-Y489 VanDerWaalsContact CA-CZ 3.41Å; G480-Y489 WeakPolarHBondContact CA-OH 3.5Å; G480-Y489 PolarHBondContact N-OH 2.69Å; A483-Y489 HydrophobicContact CB-CD1 3.92Å; A483-Y489 HydrophobicContact CB-CD2 4.06Å; A483-Y489 HydrophobicContact CB-CG 3.65Å; S486-Y489 PolarHBondContact O-N 3.18Å; S486-Y489 PolarHBondContact OG-N 3.09Å; Y489-K491 PolarHBondContact O-N 3Å; Y489-L492 WeakPolarHBondContact O-CB 3.47Å; Y489-L492 PolarHBondContact O-N 3.06Å; Y489-M493 HydrophobicContact CD1-CG 4.07Å; Y489-M493 HydrophobicContact CD2-CG 4.48Å; Y489-M493 HydrophobicContact CE1-CE 4.47Å; Y489-M493 HydrophobicContact CE1-CG 3.56Å; Y489-M493 HydrophobicContact CE1-SD 4.26Å; Y489-M493 HydrophobicContact CE2-CG 4.02Å; Y489-M493 HydrophobicContact CE2-SD 4.28Å; Y489-M493 HydrophobicContact CG-CG 4.49Å; Y489-M493 WeakPolarHBondContact O-CG 3.11Å; Y489-M493 PolarHBondContact O-N 3.41Å; Y489-M493 PolarHBondContact OH-SD 3.39Å |
| 490 | A | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.3 | -42.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S486 M487 M493 L494 T521 L523 L527 | S486-A490 PolarHBondContact O-N 2.91Å; S486-A490 VanDerWaalsContact O-N 3.12Å; M487-A490 PolarHBondContact O-N 2.94Å; A490-M493 PolarHBondContact O-N 3.42Å; A490-L494 WeakPolarHBondContact O-CB 3.3Å; A490-L494 PolarHBondContact O-N 3.13Å; A490-T521 HydrophobicContact CB-CG2 4.12Å; A490-L523 HydrophobicContact CB-CB 4.21Å; A490-L523 HydrophobicContact CB-CD1 3.98Å; A490-L527 HydrophobicContact CB-CD1 3.98Å |
| 491 | K | 96.3 | Very high | 93.2 | Very high | 97 Ų | 97 | 41.6 Ų | 41.6 | 42% | 0.422 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.7 | -40.5 | 175 | -74.6 | 179.8 | 177.1 | -176.2 | 0 | 112.5 | Q455 M487 A488 Y489 L494 T495 L523 | Q455-K491 HydrophobicContact CG-CB 4.42Å; M487-K491 WeakPolarHBondContact O-CG 3.23Å; M487-K491 PolarHBondContact O-N 2.76Å; A488-K491 PolarHBondContact O-N 2.98Å; Y489-K491 PolarHBondContact O-N 3Å; K491-L494 PolarHBondContact O-N 3.06Å; K491-T495 WeakPolarHBondContact O-CB 3.24Å; K491-T495 PolarHBondContact O-N 2.99Å; K491-T495 PolarHBondContact O-OG1 3.46Å; K491-L523 HydrophobicContact CG-CD1 3.72Å |
| 492 | L | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.3 | -49.3 | 175.4 | 174.3 | 61.5 | 0 | 0 | 0 | 111.1 | W446 F451 L454 Q455 L458 L476 A488 Y489 L494 T495 V496 | W446-L492 HydrophobicContact CH2-CD2 4.43Å; W446-L492 HydrophobicContact CZ3-CD2 4.41Å; F451-L492 HydrophobicContact CB-CD2 4.19Å; F451-L492 HydrophobicContact CD1-CD2 3.77Å; F451-L492 HydrophobicContact CG-CD2 4.36Å; L454-L492 HydrophobicContact CB-CD1 4.4Å; L454-L492 HydrophobicContact CD2-CD1 4.21Å; L454-L492 HydrophobicContact CD2-CD2 3.98Å; L454-L492 HydrophobicContact CG-CD1 3.97Å; L454-L492 HydrophobicContact CG-CD2 4.49Å; Q455-L492 HydrophobicContact CB-CB 4.14Å; Q455-L492 HydrophobicContact CB-CD1 3.99Å; Q455-L492 HydrophobicContact CG-CB 4.38Å; L458-L492 HydrophobicContact CD1-CD1 3.82Å; L476-L492 HydrophobicContact CD2-CD2 3.71Å; L476-L492 HydrophobicContact CD2-CG 3.94Å; A488-L492 WeakPolarHBondContact O-CB 3.19Å; A488-L492 PolarHBondContact O-N 3.44Å; Y489-L492 WeakPolarHBondContact O-CB 3.47Å; Y489-L492 PolarHBondContact O-N 3.06Å; L492-L494 VanDerWaalsContact C-N 3.33Å; L492-L494 PolarHBondContact O-N 3.42Å; L492-T495 WeakPolarHBondContact O-CB 3.38Å; L492-T495 PolarHBondContact O-N 3.03Å; L492-T495 VanDerWaalsContact O-N 3.15Å; L492-V496 HydrophobicContact CD1-CG2 4.32Å; L492-V496 WeakPolarHBondContact O-CG2 3.17Å; L492-V496 PolarHBondContact O-N 3.45Å |
| 493 | M | 95.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.2 | -47.7 | 176.4 | -74.8 | -75.9 | -78.2 | 0 | 0 | 111.5 | L476 Y489 A490 T495 V496 M497 L512 L516 L527 | L476-M493 HydrophobicContact CB-SD 3.9Å; L476-M493 HydrophobicContact CD1-SD 4.27Å; L476-M493 HydrophobicContact CD2-CG 4.26Å; L476-M493 HydrophobicContact CD2-SD 3.76Å; L476-M493 HydrophobicContact CG-SD 4.18Å; Y489-M493 HydrophobicContact CD1-CG 4.07Å; Y489-M493 HydrophobicContact CD2-CG 4.48Å; Y489-M493 HydrophobicContact CE1-CE 4.47Å; Y489-M493 HydrophobicContact CE1-CG 3.56Å; Y489-M493 HydrophobicContact CE1-SD 4.26Å; Y489-M493 HydrophobicContact CE2-CG 4.02Å; Y489-M493 HydrophobicContact CE2-SD 4.28Å; Y489-M493 HydrophobicContact CG-CG 4.49Å; Y489-M493 WeakPolarHBondContact O-CG 3.11Å; Y489-M493 PolarHBondContact O-N 3.41Å; Y489-M493 PolarHBondContact OH-SD 3.39Å; A490-M493 PolarHBondContact O-N 3.42Å; M493-T495 VanDerWaalsContact C-N 3.3Å; M493-T495 PolarHBondContact O-N 3.07Å; M493-V496 PolarHBondContact O-N 3.46Å; M493-M497 WeakPolarHBondContact O-CB 3.48Å; M493-M497 WeakPolarHBondContact O-CG 3.46Å; M493-M497 PolarHBondContact O-N 3.42Å; M493-L512 HydrophobicContact CE-CB 4.38Å; M493-L512 HydrophobicContact CE-CD2 3.4Å; M493-L512 HydrophobicContact CE-CG 4.44Å; M493-L512 HydrophobicContact SD-CD2 3.72Å; M493-L516 HydrophobicContact CE-CD1 3.88Å; M493-L516 HydrophobicContact CE-CD2 3.57Å; M493-L516 HydrophobicContact CE-CG 3.55Å; M493-L527 HydrophobicContact CB-CD2 3.75Å |
| 494 | L | 96.4 | Very high | 94.4 | Very high | 43 Ų | 43 | 40.4 Ų | 40.4 | 23% | 0.225 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.5 | -40.6 | 178.4 | -174.2 | 62.3 | 0 | 0 | 0 | 111.7 | A490 K491 L492 M497 T498 L527 A530 | A490-L494 WeakPolarHBondContact O-CB 3.3Å; A490-L494 PolarHBondContact O-N 3.13Å; K491-L494 PolarHBondContact O-N 3.06Å; L492-L494 VanDerWaalsContact C-N 3.33Å; L492-L494 PolarHBondContact O-N 3.42Å; L494-M497 PolarHBondContact O-N 3.2Å; L494-T498 HydrophobicContact CD1-CG2 4.03Å; L494-T498 HydrophobicContact CG-CG2 4.44Å; L494-T498 WeakPolarHBondContact O-CB 3.18Å; L494-T498 VanDerWaalsContact O-CG2 3.29Å; L494-T498 WeakPolarHBondContact O-CG2 3.35Å; L494-T498 PolarHBondContact O-N 3.45Å; L494-T498 PolarHBondContact O-OG1 3.29Å; L494-L527 HydrophobicContact CB-CD2 3.89Å; L494-L527 HydrophobicContact CD1-CD2 4.41Å; L494-A530 HydrophobicContact CD1-CB 3.93Å |
| 495 | T | 97.1 | Very high | 94.6 | Very high | 12 Ų | 12 | 42.1 Ų | 42.1 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.7 | -43.8 | 177.9 | -59.7 | 0 | 0 | 0 | 0 | 110.8 | Q455 L458 E459 K491 L492 M493 T498 K499 | Q455-T495 PolarHBondContact NE2-OG1 3.34Å; Q455-T495 VanDerWaalsContact NE2-OG1 3.14Å; L458-T495 HydrophobicContact CB-CG2 4.24Å; E459-T495 HydrophobicContact CG-CG2 4.25Å; K491-T495 WeakPolarHBondContact O-CB 3.24Å; K491-T495 PolarHBondContact O-N 2.99Å; K491-T495 PolarHBondContact O-OG1 3.46Å; L492-T495 WeakPolarHBondContact O-CB 3.38Å; L492-T495 PolarHBondContact O-N 3.03Å; L492-T495 VanDerWaalsContact O-N 3.15Å; M493-T495 VanDerWaalsContact C-N 3.3Å; M493-T495 PolarHBondContact O-N 3.07Å; T495-T498 PolarHBondContact O-OG1 3.5Å; T495-K499 HydrophobicContact CG2-CD 4.01Å; T495-K499 WeakPolarHBondContact O-CB 3.39Å; T495-K499 PolarHBondContact O-N 3.5Å |
| 496 | V | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.3 | -48.3 | 177.2 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | L458 F469 L472 M473 L476 L492 M493 T498 Y500 | L458-V496 HydrophobicContact CD1-CG2 3.84Å; F469-V496 HydrophobicContact CE2-CG1 4.34Å; F469-V496 HydrophobicContact CZ-CG1 4.35Å; L472-V496 HydrophobicContact CD2-CG2 4.09Å; M473-V496 HydrophobicContact SD-CG1 3.86Å; L476-V496 HydrophobicContact CD1-CB 4.36Å; L476-V496 HydrophobicContact CD1-CG1 4.2Å; L476-V496 HydrophobicContact CD1-CG2 4Å; L492-V496 HydrophobicContact CD1-CG2 4.32Å; L492-V496 WeakPolarHBondContact O-CG2 3.17Å; L492-V496 PolarHBondContact O-N 3.45Å; M493-V496 PolarHBondContact O-N 3.46Å; V496-T498 VanDerWaalsContact C-N 3.26Å; V496-T498 PolarHBondContact O-N 3.18Å; V496-Y500 WeakPolarHBondContact O-CA 3.48Å; V496-Y500 WeakPolarHBondContact O-CB 3.42Å; V496-Y500 PolarHBondContact O-N 3.15Å |
| 497 | M | 95.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.5 | -23.9 | -177.1 | -66 | 167.5 | 70.9 | 0 | 0 | 113.7 | M493 L494 L512 L516 L527 A530 L531 L534 | M493-M497 WeakPolarHBondContact O-CB 3.48Å; M493-M497 WeakPolarHBondContact O-CG 3.46Å; M493-M497 PolarHBondContact O-N 3.42Å; L494-M497 PolarHBondContact O-N 3.2Å; M497-L512 HydrophobicContact CG-CD1 3.85Å; M497-L512 HydrophobicContact SD-CD1 4.32Å; M497-L516 HydrophobicContact CE-CD1 4.07Å; M497-L516 HydrophobicContact SD-CD1 3.89Å; M497-L527 WeakPolarHBondContact CE-O 3.35Å; M497-L527 HydrophobicContact SD-CD2 4.14Å; M497-A530 HydrophobicContact CB-CB 4.08Å; M497-A530 HydrophobicContact CE-CB 3.83Å; M497-L531 HydrophobicContact CE-CB 3.54Å; M497-L531 HydrophobicContact CE-CD1 3.94Å; M497-L531 HydrophobicContact CE-CG 4.34Å; M497-L534 HydrophobicContact CB-CD1 4.18Å; M497-L534 HydrophobicContact CE-CD1 4Å; M497-L534 HydrophobicContact CG-CD1 4.07Å |
| 498 | T | 95 | Very high | 94.5 | Very high | 68 Ų | 68 | 45 Ų | 45 | 42% | 0.417 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -98 | -40.2 | -178.9 | 53.7 | 0 | 0 | 0 | 0 | 112.9 | L494 T495 V496 Q501 A530 | L494-T498 HydrophobicContact CD1-CG2 4.03Å; L494-T498 HydrophobicContact CG-CG2 4.44Å; L494-T498 WeakPolarHBondContact O-CB 3.18Å; L494-T498 VanDerWaalsContact O-CG2 3.29Å; L494-T498 WeakPolarHBondContact O-CG2 3.35Å; L494-T498 PolarHBondContact O-N 3.45Å; L494-T498 PolarHBondContact O-OG1 3.29Å; T495-T498 PolarHBondContact O-OG1 3.5Å; V496-T498 VanDerWaalsContact C-N 3.26Å; V496-T498 PolarHBondContact O-N 3.18Å; T498-Q501 PolarHBondContact O-OE1 2.98Å; T498-A530 HydrophobicContact CG2-CB 4.41Å |
| 499 | K | 94.7 | Very high | 94.4 | Very high | 83 Ų | 83 | 46.9 Ų | 46.9 | 36% | 0.361 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -90.1 | -25.3 | -177.6 | -68.3 | -179.5 | 177.3 | -100.8 | 0 | 113.8 | E459 Q461 T495 | E459-K499 WeakPolarHBondContact O-CE 3.39Å; E459-K499 PolarHBondContact O-NZ 3.5Å; Q461-K499 HydrophobicContact CG-CB 4.44Å; Q461-K499 HydrophobicContact CG-CD 4.06Å; Q461-K499 HydrophobicContact CG-CG 4.48Å; T495-K499 HydrophobicContact CG2-CD 4.01Å; T495-K499 WeakPolarHBondContact O-CB 3.39Å; T495-K499 PolarHBondContact O-N 3.5Å |
| 500 | Y | 94.9 | Very high | 94.3 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 6% | 0.055 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -117.8 | 23.1 | -176.2 | -58 | -91.7 | 0 | 0 | 0 | 112.4 | L458 Q461 V462 M464 F469 V496 A502 N503 | L458-Y500 HydrophobicContact CB-CE2 4.04Å; L458-Y500 HydrophobicContact CD2-CE2 4.18Å; L458-Y500 WeakPolarHBondContact CD2-OH 3.37Å; L458-Y500 PolarHBondContact O-OH 3.5Å; Q461-Y500 VanDerWaalsContact CA-OH 3.31Å; Q461-Y500 WeakPolarHBondContact CA-OH 3.31Å; V462-Y500 PolarHBondContact N-OH 3.32Å; V462-Y500 WeakPolarHBondContact O-CE1 3.44Å; V462-Y500 PolarHBondContact O-OH 2.83Å; M464-Y500 HydrophobicContact CE-CD1 3.28Å; M464-Y500 HydrophobicContact CE-CD2 4.3Å; M464-Y500 HydrophobicContact CE-CE1 3.04Å; M464-Y500 HydrophobicContact CE-CE2 4.11Å; M464-Y500 HydrophobicContact CE-CG 3.91Å; M464-Y500 VanDerWaalsContact CE-CZ 3.48Å; F469-Y500 HydrophobicContact CE2-CD1 4.44Å; F469-Y500 HydrophobicContact CE2-CG 4.17Å; V496-Y500 WeakPolarHBondContact O-CA 3.48Å; V496-Y500 WeakPolarHBondContact O-CB 3.42Å; V496-Y500 PolarHBondContact O-N 3.15Å; Y500-A502 PolarHBondContact O-N 2.97Å; Y500-A502 VanDerWaalsContact O-N 3.17Å; Y500-N503 PolarHBondContact O-N 3.29Å |
| 501 | Q | 92.5 | Very high | 94.2 | Very high | 93 Ų | 93 | 52.4 Ų | 52.4 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -51.1 | -39.1 | -179.9 | 56.7 | -178 | 63.3 | 0 | 0 | 113.6 | T498 N503 I504 L534 | T498-Q501 PolarHBondContact O-OE1 2.98Å; Q501-N503 PolarHBondContact O-N 2.86Å; Q501-I504 PolarHBondContact O-N 3.04Å; Q501-L534 HydrophobicContact CB-CD2 3.48Å; Q501-L534 VanDerWaalsContact CB-CD2 3.48Å |
| 502 | A | 91.2 | Very high | 94 | Very high | 97 Ų | 97 | 47.8 Ų | 47.8 | 80% | 0.802 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -66.4 | -18.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y500 | Y500-A502 PolarHBondContact O-N 2.97Å; Y500-A502 VanDerWaalsContact O-N 3.17Å |
| 503 | N | 91.8 | Very high | 93.7 | Very high | 75 Ų | 75 | 48.7 Ų | 48.7 | 40% | 0.401 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -98.1 | -8.5 | -177 | -62.5 | 54.2 | 0 | 0 | 0 | 112.1 | F469 Y500 Q501 T505 | F469-N503 HydrophobicContact CD1-CB 3.95Å; F469-N503 HydrophobicContact CD2-CB 4.29Å; F469-N503 HydrophobicContact CE1-CB 3.73Å; F469-N503 WeakPolarHBondContact CE1-O 3.36Å; F469-N503 HydrophobicContact CE2-CB 4.09Å; F469-N503 HydrophobicContact CG-CB 4.22Å; F469-N503 HydrophobicContact CZ-CB 3.8Å; Y500-N503 PolarHBondContact O-N 3.29Å; Q501-N503 PolarHBondContact O-N 2.86Å; N503-T505 PolarHBondContact O-N 3.02Å |
| 504 | I | 94.3 | Very high | 93.5 | Very high | 25 Ų | 25 | 54.2 Ų | 54.2 | 13% | 0.128 | 30% | 0.302 | C | S | . | . | trans | -83.6 | 118.2 | -176.1 | -61.8 | 173.2 | 0 | 0 | 0 | 109.6 | F469 M473 Q501 Q508 R509 L512 L534 | F469-I504 HydrophobicContact CE1-CG1 4.07Å; F469-I504 HydrophobicContact CZ-CG1 3.74Å; M473-I504 HydrophobicContact CE-CG1 4.25Å; M473-I504 HydrophobicContact CE-CG2 4.32Å; Q501-I504 PolarHBondContact O-N 3.04Å; I504-Q508 HydrophobicContact CG2-CB 4.16Å; I504-R509 HydrophobicContact CG2-CB 4.14Å; I504-L512 HydrophobicContact CD1-CD1 4.26Å; I504-L512 HydrophobicContact CG2-CD1 4.49Å; I504-L534 HydrophobicContact CD1-CD1 3.68Å; I504-L534 HydrophobicContact CD1-CD2 3.92Å; I504-L534 HydrophobicContact CD1-CG 4.48Å; I504-L534 HydrophobicContact CG2-CD1 4.35Å | ||
| 505 | T | 92.8 | Very high | 93.2 | Very high | 73 Ų | 73 | 52.2 Ų | 52.2 | 45% | 0.448 | 29% | 0.292 | S | S | . | . | trans | -79.8 | 160.2 | 173.2 | 62.4 | 0 | 0 | 0 | 0 | 111.7 | N503 T507 Q508 R509 | N503-T505 PolarHBondContact O-N 3.02Å; T505-T507 VanDerWaalsContact C-N 3.29Å; T505-T507 PolarHBondContact O-N 3.25Å; T505-Q508 WeakPolarHBondContact O-CB 3.34Å; T505-Q508 PolarHBondContact O-N 2.95Å; T505-Q508 VanDerWaalsContact OG1-CG 3.24Å; T505-Q508 WeakPolarHBondContact OG1-CG 3.21Å; T505-Q508 PolarHBondContact OG1-N 3.35Å; T505-Q508 PolarHBondContact OG1-OE1 2.98Å; T505-R509 PolarHBondContact O-N 3.17Å | ||
| 506 | E | 92.4 | Very high | 92.9 | Very high | 105 Ų | 105 | 52.1 Ų | 52.1 | 49% | 0.491 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.7 | -40.2 | 178.8 | -178.8 | 56.8 | -161.5 | 0 | 0 | 112.8 | Q508 R509 L510 | E506-Q508 VanDerWaalsContact C-N 3.34Å; E506-Q508 PolarHBondContact O-N 2.95Å; E506-R509 WeakPolarHBondContact O-CB 3.49Å; E506-R509 PolarHBondContact O-N 3.34Å; E506-R509 IonicContact OE1-CZ 3.31Å; E506-R509 IonicContact OE1-NE 3.66Å; E506-R509 PolarHBondContact OE1-NE 3.08Å; E506-R509 IonicContact OE1-NH2 2.8Å; E506-R509 PolarHBondContact OE1-NH2 2.98Å; E506-R509 IonicContact OE2-CZ 3.64Å; E506-R509 IonicContact OE2-NE 3.68Å; E506-R509 PolarHBondContact OE2-NE 2.93Å; E506-R509 IonicContact OE2-NH2 3.38Å; E506-L510 WeakPolarHBondContact O-CG 3.21Å; E506-L510 PolarHBondContact O-N 3Å |
| 507 | T | 92.1 | Very high | 92.4 | Very high | 115 Ų | 115 | 58 Ų | 58 | 71% | 0.706 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.8 | -41.6 | 175.8 | -48.4 | 0 | 0 | 0 | 0 | 111.8 | T505 L510 G511 | T505-T507 VanDerWaalsContact C-N 3.29Å; T505-T507 PolarHBondContact O-N 3.25Å; T507-L510 PolarHBondContact O-N 3.39Å; T507-G511 PolarHBondContact O-N 3.44Å |
| 508 | Q | 93.2 | Very high | 92 | Very high | 34 Ų | 34 | 60.4 Ų | 60.4 | 16% | 0.159 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.2 | -37 | 176.9 | -71.2 | 164.8 | -21.4 | 0 | 0 | 111.6 | M473 I504 T505 E506 L510 G511 L512 | M473-Q508 HydrophobicContact CB-CG 4.06Å; M473-Q508 HydrophobicContact CE-CB 3.78Å; M473-Q508 HydrophobicContact CE-CG 4.44Å; M473-Q508 HydrophobicContact CG-CG 4.26Å; I504-Q508 HydrophobicContact CG2-CB 4.16Å; T505-Q508 WeakPolarHBondContact O-CB 3.34Å; T505-Q508 PolarHBondContact O-N 2.95Å; T505-Q508 VanDerWaalsContact OG1-CG 3.24Å; T505-Q508 WeakPolarHBondContact OG1-CG 3.21Å; T505-Q508 PolarHBondContact OG1-N 3.35Å; T505-Q508 PolarHBondContact OG1-OE1 2.98Å; E506-Q508 VanDerWaalsContact C-N 3.34Å; E506-Q508 PolarHBondContact O-N 2.95Å; Q508-L510 PolarHBondContact O-N 3.04Å; Q508-G511 PolarHBondContact O-N 3.02Å; Q508-L512 WeakPolarHBondContact O-CG 3.47Å; Q508-L512 PolarHBondContact O-N 3.13Å |
| 509 | R | 93.7 | Very high | 91.6 | Very high | 48 Ų | 48 | 57.3 Ų | 57.3 | 18% | 0.181 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 174.2 | -169.8 | -166 | 68.7 | 73.3 | 2 | 111.5 | I504 T505 E506 G511 L512 A513 L531 L534 | I504-R509 HydrophobicContact CG2-CB 4.14Å; T505-R509 PolarHBondContact O-N 3.17Å; E506-R509 WeakPolarHBondContact O-CB 3.49Å; E506-R509 PolarHBondContact O-N 3.34Å; E506-R509 IonicContact OE1-CZ 3.31Å; E506-R509 IonicContact OE1-NE 3.66Å; E506-R509 PolarHBondContact OE1-NE 3.08Å; E506-R509 IonicContact OE1-NH2 2.8Å; E506-R509 PolarHBondContact OE1-NH2 2.98Å; E506-R509 IonicContact OE2-CZ 3.64Å; E506-R509 IonicContact OE2-NE 3.68Å; E506-R509 PolarHBondContact OE2-NE 2.93Å; E506-R509 IonicContact OE2-NH2 3.38Å; R509-G511 VanDerWaalsContact C-N 3.34Å; R509-L512 PolarHBondContact O-N 3.38Å; R509-A513 PolarHBondContact O-N 2.69Å; R509-L531 HydrophobicContact CG-CD1 3.9Å; R509-L534 HydrophobicContact CG-CB 4.01Å; R509-L534 HydrophobicContact CG-CD1 4.44Å |
| 510 | L | 92.4 | Very high | 91.3 | Very high | 93 Ų | 93 | 57.9 Ų | 57.9 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 174.3 | -68.3 | 172.2 | 0 | 0 | 0 | 111.7 | E506 T507 Q508 L512 A513 M514 | E506-L510 WeakPolarHBondContact O-CG 3.21Å; E506-L510 PolarHBondContact O-N 3Å; T507-L510 PolarHBondContact O-N 3.39Å; Q508-L510 PolarHBondContact O-N 3.04Å; L510-L512 PolarHBondContact O-N 2.84Å; L510-A513 WeakPolarHBondContact O-CB 3.47Å; L510-A513 PolarHBondContact O-N 3.39Å; L510-M514 PolarHBondContact O-N 3.05Å; L510-M514 VanDerWaalsContact O-N 3.15Å |
| 511 | G | 92.4 | Very high | 91.1 | Very high | 23 Ų | 23 | 58 Ų | 58 | 24% | 0.237 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C477 T507 Q508 R509 A513 M514 A515 | C477-G511 VanDerWaalsContact SG-C 3.5Å; T507-G511 PolarHBondContact O-N 3.44Å; Q508-G511 PolarHBondContact O-N 3.02Å; R509-G511 VanDerWaalsContact C-N 3.34Å; G511-A513 VanDerWaalsContact C-N 3.32Å; G511-A513 PolarHBondContact O-N 3.44Å; G511-M514 PolarHBondContact O-N 2.77Å; G511-A515 WeakPolarHBondContact O-CB 3.4Å; G511-A515 PolarHBondContact O-N 3.09Å; G511-A515 VanDerWaalsContact O-N 3.08Å |
| 512 | L | 93 | Very high | 90.9 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 174 | -68.6 | 177 | 0 | 0 | 0 | 111.7 | M473 M493 M497 I504 Q508 R509 L510 A515 L516 L531 L534 | M473-L512 HydrophobicContact CE-CD1 3.63Å; M473-L512 HydrophobicContact CE-CD2 3.74Å; M473-L512 HydrophobicContact CE-CG 3.65Å; M493-L512 HydrophobicContact CE-CB 4.38Å; M493-L512 HydrophobicContact CE-CD2 3.4Å; M493-L512 HydrophobicContact CE-CG 4.44Å; M493-L512 HydrophobicContact SD-CD2 3.72Å; M497-L512 HydrophobicContact CG-CD1 3.85Å; M497-L512 HydrophobicContact SD-CD1 4.32Å; I504-L512 HydrophobicContact CD1-CD1 4.26Å; I504-L512 HydrophobicContact CG2-CD1 4.49Å; Q508-L512 WeakPolarHBondContact O-CG 3.47Å; Q508-L512 PolarHBondContact O-N 3.13Å; R509-L512 PolarHBondContact O-N 3.38Å; L510-L512 PolarHBondContact O-N 2.84Å; L512-A515 PolarHBondContact O-N 3.37Å; L512-L516 WeakPolarHBondContact O-CB 3.29Å; L512-L516 WeakPolarHBondContact O-CG 3.39Å; L512-L516 PolarHBondContact O-N 3.31Å; L512-L531 HydrophobicContact CB-CD1 4.23Å; L512-L534 HydrophobicContact CD1-CD1 4.27Å |
| 513 | A | 91.6 | Very high | 90.9 | Very high | 20 Ų | 20 | 60.2 Ų | 60.2 | 17% | 0.165 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.8 | -51.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | R509 L510 G511 A515 L516 E517 L531 | R509-A513 PolarHBondContact O-N 2.69Å; L510-A513 WeakPolarHBondContact O-CB 3.47Å; L510-A513 PolarHBondContact O-N 3.39Å; G511-A513 VanDerWaalsContact C-N 3.32Å; G511-A513 PolarHBondContact O-N 3.44Å; A513-A515 VanDerWaalsContact C-N 3.29Å; A513-A515 PolarHBondContact O-N 2.65Å; A513-L516 PolarHBondContact O-N 3.05Å; A513-L516 VanDerWaalsContact O-N 3.08Å; A513-E517 WeakPolarHBondContact O-CG 3.38Å; A513-E517 PolarHBondContact O-N 3.19Å; A513-L531 HydrophobicContact CB-CD1 4.46Å; A513-L531 HydrophobicContact CB-CD2 3.67Å |
| 514 | M | 90.7 | Very high | 90.8 | Very high | 115 Ų | 115 | 62.1 Ų | 62.1 | 57% | 0.567 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -58.6 | -40.1 | 176.8 | -65.7 | -60 | -55.4 | 0 | 0 | 112.2 | L510 G511 L516 P518 | L510-M514 PolarHBondContact O-N 3.05Å; L510-M514 VanDerWaalsContact O-N 3.15Å; G511-M514 PolarHBondContact O-N 2.77Å; M514-L516 VanDerWaalsContact C-N 3.29Å; M514-L516 PolarHBondContact O-N 3.37Å; M514-P518 WeakPolarHBondContact O-CD 3.49Å |
| 515 | A | 90 | Very high | 90.7 | Very high | 2 Ų | 2 | 69.3 Ų | 69.3 | 2% | 0.017 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.2 | -24.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G511 L512 A513 | G511-A515 WeakPolarHBondContact O-CB 3.4Å; G511-A515 PolarHBondContact O-N 3.09Å; G511-A515 VanDerWaalsContact O-N 3.08Å; L512-A515 PolarHBondContact O-N 3.37Å; A513-A515 VanDerWaalsContact C-N 3.29Å; A513-A515 PolarHBondContact O-N 2.65Å |
| 516 | L | 89.5 | Confident | 90.8 | Very high | 10 Ų | 10 | 68.5 Ų | 68.5 | 5% | 0.052 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -97.5 | -19.6 | -177.1 | -72.2 | 174.9 | 0 | 0 | 0 | 114 | M493 M497 L512 A513 M514 N519 L527 | M493-L516 HydrophobicContact CE-CD1 3.88Å; M493-L516 HydrophobicContact CE-CD2 3.57Å; M493-L516 HydrophobicContact CE-CG 3.55Å; M497-L516 HydrophobicContact CE-CD1 4.07Å; M497-L516 HydrophobicContact SD-CD1 3.89Å; L512-L516 WeakPolarHBondContact O-CB 3.29Å; L512-L516 WeakPolarHBondContact O-CG 3.39Å; L512-L516 PolarHBondContact O-N 3.31Å; A513-L516 PolarHBondContact O-N 3.05Å; A513-L516 VanDerWaalsContact O-N 3.08Å; M514-L516 VanDerWaalsContact C-N 3.29Å; M514-L516 PolarHBondContact O-N 3.37Å; L516-N519 VanDerWaalsContact O-CB 3.23Å; L516-N519 WeakPolarHBondContact O-CB 3.47Å; L516-N519 PolarHBondContact O-N 3.02Å; L516-L527 HydrophobicContact CD1-CB 4.2Å; L516-L527 HydrophobicContact CD2-CB 4.21Å; L516-L527 HydrophobicContact CD2-CD1 3.8Å; L516-L527 HydrophobicContact CD2-CD2 4.16Å; L516-L527 HydrophobicContact CD2-CG 4.28Å |
| 517 | E | 87.6 | Confident | 90.8 | Very high | 122 Ų | 122 | 63.7 Ų | 63.7 | 57% | 0.57 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | -49.5 | 174.8 | -83 | 178.5 | -175.8 | 0 | 0 | 113.8 | A513 N519 | A513-E517 WeakPolarHBondContact O-CG 3.38Å; A513-E517 PolarHBondContact O-N 3.19Å; E517-N519 VanDerWaalsContact C-N 3.27Å; E517-N519 PolarHBondContact O-N 3.27Å |
| 518 | P | 86.9 | Confident | 90.8 | Very high | 54 Ų | 54 | 62.1 Ų | 62.1 | 35% | 0.351 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 3.6 | -179.7 | 34.6 | -37.4 | 0 | 0 | 0 | 113.7 | L481 T484 M514 T520 | L481-P518 HydrophobicContact CD2-CG 4.33Å; T484-P518 WeakPolarHBondContact CB-O 3.38Å; T484-P518 HydrophobicContact CG2-CB 3.82Å; T484-P518 HydrophobicContact CG2-CG 3.93Å; M514-P518 WeakPolarHBondContact O-CD 3.49Å; P518-T520 PolarHBondContact O-N 2.8Å |
| 519 | N | 86.8 | Confident | 90.8 | Very high | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | trans | -66.5 | 127.4 | -177.9 | -173.4 | -87.1 | 0 | 0 | 0 | 111.4 | T484 L516 E517 T521 R524 | T484-N519 PolarHBondContact O-ND2 2.86Å; L516-N519 VanDerWaalsContact O-CB 3.23Å; L516-N519 WeakPolarHBondContact O-CB 3.47Å; L516-N519 PolarHBondContact O-N 3.02Å; E517-N519 VanDerWaalsContact C-N 3.27Å; E517-N519 PolarHBondContact O-N 3.27Å; N519-T521 WeakPolarHBondContact OD1-CB 3.4Å; N519-T521 PolarHBondContact OD1-N 3.19Å; N519-T521 PolarHBondContact OD1-OG1 3.41Å; N519-R524 WeakPolarHBondContact O-CD 3.44Å | ||
| 520 | T | 88.1 | Confident | 90.8 | Very high | 95 Ų | 95 | 61.5 Ų | 61.5 | 58% | 0.583 | 32% | 0.323 | S | S | * | . | trans | -112.6 | 11.5 | -178.5 | 61.2 | 0 | 0 | 0 | 0 | 112.9 | T484 P518 | T484-T520 PolarHBondContact O-N 3.24Å; T484-T520 PolarHBondContact O-OG1 3.36Å; P518-T520 PolarHBondContact O-N 2.8Å | ||
| 521 | T | 90.8 | Very high | 90.8 | Very high | 15 Ų | 15 | 58.3 Ų | 58.3 | 9% | 0.092 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -77.1 | 162.4 | -179.7 | 72.4 | 0 | 0 | 0 | 0 | 112.1 | A490 N519 L523 R524 | A490-T521 HydrophobicContact CB-CG2 4.12Å; N519-T521 WeakPolarHBondContact OD1-CB 3.4Å; N519-T521 PolarHBondContact OD1-N 3.19Å; N519-T521 PolarHBondContact OD1-OG1 3.41Å; T521-L523 PolarHBondContact O-N 2.98Å; T521-L523 VanDerWaalsContact O-N 3.13Å; T521-L523 PolarHBondContact OG1-N 3.43Å; T521-R524 WeakPolarHBondContact O-CB 3.36Å; T521-R524 PolarHBondContact O-N 3.17Å; T521-R524 VanDerWaalsContact O-N 3.09Å |
| 522 | F | 86.9 | Confident | 90.8 | Very high | 206 Ų | 206 | 64.8 Ų | 64.8 | 90% | 0.904 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -24.1 | 173.7 | -65.8 | -76.2 | 0 | 0 | 0 | 113.5 | R524 | F522-R524 VanDerWaalsContact C-N 3.26Å; F522-R524 PolarHBondContact O-N 3.43Å |
| 523 | L | 91.3 | Very high | 90.7 | Very high | 31 Ų | 31 | 70 Ų | 70 | 16% | 0.162 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 1.1 | 179.1 | -64.7 | -178.7 | 0 | 0 | 0 | 114 | M487 A490 K491 T521 K525 S526 L527 | M487-L523 HydrophobicContact CE-CD1 3.64Å; M487-L523 HydrophobicContact CE-CD2 4.07Å; M487-L523 HydrophobicContact CE-CG 3.61Å; M487-L523 HydrophobicContact SD-CD1 3.84Å; M487-L523 HydrophobicContact SD-CG 3.89Å; A490-L523 HydrophobicContact CB-CB 4.21Å; A490-L523 HydrophobicContact CB-CD1 3.98Å; K491-L523 HydrophobicContact CG-CD1 3.72Å; T521-L523 PolarHBondContact O-N 2.98Å; T521-L523 VanDerWaalsContact O-N 3.13Å; T521-L523 PolarHBondContact OG1-N 3.43Å; L523-K525 VanDerWaalsContact C-N 3.27Å; L523-K525 PolarHBondContact O-N 2.89Å; L523-S526 PolarHBondContact O-N 3.21Å; L523-L527 HydrophobicContact CB-CD1 4.11Å; L523-L527 HydrophobicContact CB-CG 4.4Å; L523-L527 WeakPolarHBondContact O-CB 3.42Å; L523-L527 WeakPolarHBondContact O-CG 3.46Å; L523-L527 PolarHBondContact O-N 3.36Å |
| 524 | R | 90.8 | Very high | 90.6 | Very high | 116 Ų | 116 | 70.5 Ų | 70.5 | 44% | 0.438 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -50 | -45.5 | -179.1 | -176.5 | -177.7 | -177 | 169.3 | 4.9 | 112.9 | N519 T521 F522 L527 Q528 | N519-R524 WeakPolarHBondContact O-CD 3.44Å; T521-R524 WeakPolarHBondContact O-CB 3.36Å; T521-R524 PolarHBondContact O-N 3.17Å; T521-R524 VanDerWaalsContact O-N 3.09Å; F522-R524 VanDerWaalsContact C-N 3.26Å; F522-R524 PolarHBondContact O-N 3.43Å; R524-L527 PolarHBondContact O-N 3.49Å; R524-Q528 WeakPolarHBondContact O-CB 3.39Å; R524-Q528 VanDerWaalsContact O-CG 3.3Å; R524-Q528 WeakPolarHBondContact O-CG 3.44Å; R524-Q528 PolarHBondContact O-N 3.34Å |
| 525 | K | 91.9 | Very high | 89.6 | Confident | 175 Ų | 175 | 67.8 Ų | 67.8 | 76% | 0.761 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.3 | -45 | 179.4 | -70.6 | -176.3 | 179.7 | 177.4 | 0 | 111.8 | L523 Q528 A529 | L523-K525 VanDerWaalsContact C-N 3.27Å; L523-K525 PolarHBondContact O-N 2.89Å; K525-Q528 PolarHBondContact O-N 2.95Å; K525-A529 WeakPolarHBondContact O-CB 3.47Å; K525-A529 PolarHBondContact O-N 3.37Å |
| 526 | S | 94.3 | Very high | 88.1 | Confident | 57 Ų | 57 | 74 Ų | 74 | 40% | 0.399 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 178.1 | -52.8 | 0 | 0 | 0 | 0 | 111.9 | L523 A529 A530 | L523-S526 PolarHBondContact O-N 3.21Å; S526-A529 PolarHBondContact O-N 3.4Å; S526-A530 WeakPolarHBondContact O-CB 3.3Å; S526-A530 PolarHBondContact O-N 2.87Å |
| 527 | L | 93.4 | Very high | 88.1 | Confident | 3 Ų | 3 | 77.2 Ų | 77.2 | 2% | 0.016 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 176 | -72.3 | 164.5 | 0 | 0 | 0 | 111.7 | A490 M493 L494 M497 L516 L523 R524 A529 A530 L531 | A490-L527 HydrophobicContact CB-CD1 3.98Å; M493-L527 HydrophobicContact CB-CD2 3.75Å; L494-L527 HydrophobicContact CB-CD2 3.89Å; L494-L527 HydrophobicContact CD1-CD2 4.41Å; M497-L527 WeakPolarHBondContact CE-O 3.35Å; M497-L527 HydrophobicContact SD-CD2 4.14Å; L516-L527 HydrophobicContact CD1-CB 4.2Å; L516-L527 HydrophobicContact CD2-CB 4.21Å; L516-L527 HydrophobicContact CD2-CD1 3.8Å; L516-L527 HydrophobicContact CD2-CD2 4.16Å; L516-L527 HydrophobicContact CD2-CG 4.28Å; L523-L527 HydrophobicContact CB-CD1 4.11Å; L523-L527 HydrophobicContact CB-CG 4.4Å; L523-L527 WeakPolarHBondContact O-CB 3.42Å; L523-L527 WeakPolarHBondContact O-CG 3.46Å; L523-L527 PolarHBondContact O-N 3.36Å; R524-L527 PolarHBondContact O-N 3.49Å; L527-A529 VanDerWaalsContact C-N 3.34Å; L527-A529 PolarHBondContact O-N 2.9Å; L527-A530 PolarHBondContact O-N 2.93Å; L527-L531 WeakPolarHBondContact O-CB 3.47Å; L527-L531 PolarHBondContact O-N 3.1Å |
| 528 | Q | 91.8 | Very high | 88.1 | Confident | 82 Ų | 82 | 74.8 Ų | 74.8 | 38% | 0.383 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64 | -38.5 | 174.3 | -74.1 | 177.7 | -9.7 | 0 | 0 | 112.3 | R524 K525 L531 K532 | R524-Q528 WeakPolarHBondContact O-CB 3.39Å; R524-Q528 VanDerWaalsContact O-CG 3.3Å; R524-Q528 WeakPolarHBondContact O-CG 3.44Å; R524-Q528 PolarHBondContact O-N 3.34Å; K525-Q528 PolarHBondContact O-N 2.95Å; Q528-L531 PolarHBondContact O-N 3.19Å; Q528-K532 WeakPolarHBondContact O-CG 3.33Å; Q528-K532 PolarHBondContact O-N 3.32Å |
| 529 | A | 93.6 | Very high | 88.2 | Confident | 57 Ų | 57 | 76 Ų | 76 | 47% | 0.471 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.8 | -47 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | K525 S526 L527 L531 K532 H533 | K525-A529 WeakPolarHBondContact O-CB 3.47Å; K525-A529 PolarHBondContact O-N 3.37Å; S526-A529 PolarHBondContact O-N 3.4Å; L527-A529 VanDerWaalsContact C-N 3.34Å; L527-A529 PolarHBondContact O-N 2.9Å; A529-L531 VanDerWaalsContact C-N 3.31Å; A529-L531 PolarHBondContact O-N 3.32Å; A529-K532 PolarHBondContact O-N 2.98Å; A529-H533 PolarHBondContact O-N 3.33Å; A529-H533 VanDerWaalsContact O-N 3.09Å |
| 530 | A | 93.9 | Very high | 88.2 | Confident | 13 Ų | 13 | 80.3 Ų | 80.3 | 11% | 0.107 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -59.9 | -40.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L494 M497 T498 S526 L527 K532 H533 L534 | L494-A530 HydrophobicContact CD1-CB 3.93Å; M497-A530 HydrophobicContact CB-CB 4.08Å; M497-A530 HydrophobicContact CE-CB 3.83Å; T498-A530 HydrophobicContact CG2-CB 4.41Å; S526-A530 WeakPolarHBondContact O-CB 3.3Å; S526-A530 PolarHBondContact O-N 2.87Å; L527-A530 PolarHBondContact O-N 2.93Å; A530-K532 VanDerWaalsContact C-N 3.34Å; A530-K532 PolarHBondContact O-N 3.44Å; A530-H533 PolarHBondContact O-N 3.42Å; A530-L534 WeakPolarHBondContact O-CG 3.45Å; A530-L534 PolarHBondContact O-N 3.26Å |
| 531 | L | 92.5 | Very high | 88.3 | Confident | 25 Ų | 25 | 79.4 Ų | 79.4 | 13% | 0.131 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 178.7 | -172.3 | 65.6 | 0 | 0 | 0 | 112.4 | M497 R509 L512 A513 L527 Q528 A529 H533 L534 | M497-L531 HydrophobicContact CE-CB 3.54Å; M497-L531 HydrophobicContact CE-CD1 3.94Å; M497-L531 HydrophobicContact CE-CG 4.34Å; R509-L531 HydrophobicContact CG-CD1 3.9Å; L512-L531 HydrophobicContact CB-CD1 4.23Å; A513-L531 HydrophobicContact CB-CD1 4.46Å; A513-L531 HydrophobicContact CB-CD2 3.67Å; L527-L531 WeakPolarHBondContact O-CB 3.47Å; L527-L531 PolarHBondContact O-N 3.1Å; Q528-L531 PolarHBondContact O-N 3.19Å; A529-L531 VanDerWaalsContact C-N 3.31Å; A529-L531 PolarHBondContact O-N 3.32Å; L531-H533 VanDerWaalsContact C-N 3.34Å; L531-L534 HydrophobicContact CD1-CD1 4.48Å; L531-L534 PolarHBondContact O-N 3.09Å |
| 532 | K | 91.3 | Very high | 88.1 | Confident | 160 Ų | 160 | 83.7 Ų | 83.7 | 70% | 0.696 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.8 | -40.1 | 175.4 | -73.7 | 174.9 | -178.2 | -176.9 | 0 | 111.3 | Q528 A529 A530 L534 G535 S536 | Q528-K532 WeakPolarHBondContact O-CG 3.33Å; Q528-K532 PolarHBondContact O-N 3.32Å; A529-K532 PolarHBondContact O-N 2.98Å; A530-K532 VanDerWaalsContact C-N 3.34Å; A530-K532 PolarHBondContact O-N 3.44Å; K532-L534 PolarHBondContact O-N 3.38Å; K532-G535 PolarHBondContact O-N 3.17Å; K532-G535 VanDerWaalsContact O-N 3.1Å; K532-S536 PolarHBondContact O-N 3.23Å |
| 533 | H | 91.6 | Very high | 88.2 | Confident | 108 Ų | 108 | 74.9 Ų | 74.9 | 50% | 0.5 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.2 | -20.7 | 177.6 | -165.6 | -66.3 | 0 | 0 | 0 | 113.2 | A529 A530 L531 G535 S536 | A529-H533 PolarHBondContact O-N 3.33Å; A529-H533 VanDerWaalsContact O-N 3.09Å; A530-H533 PolarHBondContact O-N 3.42Å; L531-H533 VanDerWaalsContact C-N 3.34Å; H533-G535 VanDerWaalsContact C-N 3.3Å; H533-S536 WeakPolarHBondContact CA-OG 3.46Å; H533-S536 PolarHBondContact O-OG 3.07Å |
| 534 | L | 88.4 | Confident | 87.9 | Confident | 32 Ų | 32 | 78.3 Ų | 78.3 | 17% | 0.168 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -17.5 | 172.9 | -65.2 | 175.1 | 0 | 0 | 0 | 113.3 | M497 Q501 I504 R509 L512 A530 L531 K532 | M497-L534 HydrophobicContact CB-CD1 4.18Å; M497-L534 HydrophobicContact CE-CD1 4Å; M497-L534 HydrophobicContact CG-CD1 4.07Å; Q501-L534 HydrophobicContact CB-CD2 3.48Å; Q501-L534 VanDerWaalsContact CB-CD2 3.48Å; I504-L534 HydrophobicContact CD1-CD1 3.68Å; I504-L534 HydrophobicContact CD1-CD2 3.92Å; I504-L534 HydrophobicContact CD1-CG 4.48Å; I504-L534 HydrophobicContact CG2-CD1 4.35Å; R509-L534 HydrophobicContact CG-CB 4.01Å; R509-L534 HydrophobicContact CG-CD1 4.44Å; L512-L534 HydrophobicContact CD1-CD1 4.27Å; A530-L534 WeakPolarHBondContact O-CG 3.45Å; A530-L534 PolarHBondContact O-N 3.26Å; L531-L534 HydrophobicContact CD1-CD1 4.48Å; L531-L534 PolarHBondContact O-N 3.09Å; K532-L534 PolarHBondContact O-N 3.38Å |
| 535 | G | 70.6 | Confident | 87.7 | Confident | 57 Ų | 57 | 75.2 Ų | 75.2 | 59% | 0.588 | 43% | 0.429 | S | S | * | . | trans | -102.7 | -0.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | K532 H533 | K532-G535 PolarHBondContact O-N 3.17Å; K532-G535 VanDerWaalsContact O-N 3.1Å; H533-G535 VanDerWaalsContact C-N 3.3Å | ||
| 536 | S | 59.2 | Low | 87.3 | Confident | 133 Ų | 133 | 66.1 Ų | 66.1 | 93% | 0.93 | 40% | 0.399 | S | S | * | . | trans | -98.4 | 0 | 170.8 | 60.4 | 0 | 0 | 0 | 0 | 109.9 | K532 H533 | K532-S536 PolarHBondContact O-N 3.23Å; H533-S536 WeakPolarHBondContact CA-OG 3.46Å; H533-S536 PolarHBondContact O-OG 3.07Å |
Retrieved 536 of 536 residues in 249.2 ms
(Link to these results)